Jump to content
NIST Chemistry WebBook , SRD 69
- IUPAC identifier
- More options
- SRD Program
- Science Data Portal
- Office of Data and Informatics
- More documentation
- Formula : C 10 H 18 O
- Molecular weight : 154.2493
- IUPAC Standard InChIKey: CDOSHBSSFJOMGT-UHFFFAOYSA-N Copy
- CAS Registry Number: 78-70-6
- (S)-3,7-dimethyl-1,6-octadien-3-ol
- (R)-linalool
- Other names: 1,6-Octadien-3-ol, 3,7-dimethyl-; β-Linalool; Linalol; Linalyl alcohol; 2,6-Dimethyl-2,7-octadien-6-ol; allo-Ocimenol; 2,6-Dimethyl-2,7-octadiene-6-ol; 2,6-Dimethylocta-2,7-dien-6-ol; 3,7-Dimethyl-1,6-octadien-3-ol; 3,7-Dimethylocta-1,6-dien-3-ol; Linolool; Linanool; dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene; Linalool ex bois de rose oil; Linalool ex ho oil; Linalool ex orange oil; Phantol; Linalool, β; (.+/-.)-Linalool; NSC 3789; beta-Linalool; p-Linalool; LINOLOOL (D); b-Linalool; Linaloyl oxide; (-)-linalool; 3,7-dimethyl-1,6-octandien-3-ol (linalool); R/S-linalool; ( S)-linalool; (+)-linalool; 3,7-dimethylocta-1,6-dien-3-ol (linalool); 3,7-dimethyl-1,6-octadien-3-ol (linalool); (-)-β-Linalool; (S)-Linalol; L-Linalool; (±)-linalool; 2,6-dimethyl-2,7-octadien-6-ol (linalool); linalool B; (+)-β-Linalool
Mass spectrum (electron ionization)
- Condensed phase thermochemistry data
- Phase change data
- IR Spectrum
- Gas Chromatography
- Gas Phase Kinetics Database
- Switch to calorie-based units
Data at NIST subscription sites:
- NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)
NIST subscription sites provide data under the NIST Standard Reference Data Program , but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Go To: Top , References , Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
- Help / Software credits
The interactive spectrum display requires a browser with JavaScript and HTML 5 canvas support.
Select a region with data to zoom. Select a region with no data or click the mouse on the plot to revert to the orginal display.
The following components were used in generating the plot:
- Resize (distributed with Flot)
- Selection (distributed with Flot)
- Axis labels
- Labels ( Modified by NIST for use in this application )
Additonal code used was developed at NIST: jcamp-dx.js and jcamp-plot.js .
Use or mention of technologies or programs in this web site is not intended to imply recommendation or endorsement by the National Institute of Standards and Technology, nor is it intended to imply that these items are necessarily the best available for the purpose.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
View spectrum image in SVG format .
Download spectrum in JCAMP-DX format.
All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program .
Go To: Top , Mass spectrum (electron ionization) , Notes
No reference data available.
Go To: Top , Mass spectrum (electron ionization) , References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.
- If you believe that this page may contain an error, please fill out the error report form for this page.
- About SpectraBase.com
- Wiley Spectral Libraries & Software
- For Advertisers
- Privacy Policy
- Terms of Use
- End User License Agreement
John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3K09azVTUVU SpectraBase Spectrum ID=GikToRl5TaB
View entire compound with open access spectra: 1 NMR
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the full spectrum for free, the full spectrum can only be viewed using a free account..
Automated Topology Builder (ATB) and Repository Version 3.0
(r)-(–)-linalool | c 10 h 18 o | md topology | nmr | x-ray, visualize with jsmol, flag topology.
If you believe there is something wrong with this topology please use the form below to flag the molecule for the attention of the MD Group.
You may or may not leave your name to let the admin get back to you.
Use between 5 and 200 characters.
Thank you !
Thank you for your feedback. Someone will have a look at this topology shortly.
Molecule Information
Molecular dynamics (md) files, x-ray - docking files.
- NMR Refinement Files
1 H NMR Spectrum
Topology history.
Generating ...
NMR Parameters
Fragment-based charges.
No charge assignments available. Use the button above to use OFraMP fragment-based charge assignment.
Processing Information
Qm processing stage.
Click table to toggle details.
Other conformers for this molecule (1-6 of 6)
The highlighted row is the currently viewed molecule with the following conditions: Green: the current molecule has the lowest QM energy in the set. Yellow: the current molecule is within 2 kJ.mol -1 of the minimum energy. Red: the current molecule is above 2 kJ.mol -1 of the minimum energy.
Similar compounds (1-5 of 5)
Conditions of use.
The Automated Topology Builder (ATB) and Repository has been developed and is currently maintained with support from the University of Queensland (UQ), the Australian Research Council (ARC) and the Queensland Cyber Infrastructure Foundation (QCIF). Access to the ATB is provided free to academic users from publically funded teaching or research institutions. Access for academic use is conditional on: i) any molecule submitted to the ATB being made publically available and ii) the source of any material downloaded from the ATB being appropriately acknowledged in any publications or other forms in which research using this material is disseminated.
Use of the ATB by other parties, or academic users wishing to restrict the access of others to specific molecules, is considered to be commercial in nature. Commercial access is available by licence or collaborative agreement. Parties interested in commercial licencing or other arrangements should contact Prof Alan E. Mark at the address provided at the bottom of the page.
ATB Pipeline Setting
Access to this feature is currently restricted
The maximum QM level is computed using the ATB Pipeline atom limits but can be manually increased on a case by case basis.
Experimental Solvation Free Energies (0-0 of 0)
Calculated solvation free energy, submit new solvation free energy computation.
UQ MD Group Website
Contributors
- Alan E. Mark
- Martin Stroet
- Alpesh K. Malde
- Josef Holownia
- Callum Macfarlane
- Mehdi Mobli
- Biochemical and Biophysical Systems Group, LLNL
- Gunnar Klau
- Chris Oostenbrink
- Daan Geerke
- Sharif Nada
- Bertrand Caron
- Matthew Breeze
- Mohammed El-Kebir
- David Warne
- Richard Hammond
- Wenhan Chen
- David Poger
- Phil Hünenberger
- Bruno Horta
- Katarzyna Koziara
- Yik Chang Jonathan Ting
- Martina Setz
- Pramod C. Nair
- Purvi Gupta
- Nikhil Biyani
Supported By
This project is supported by the Australian Research Data Commons (ARDC). The ARDC is enabled by NCRIS.
Information
- Author Services
Initiatives
You are accessing a machine-readable page. In order to be human-readable, please install an RSS reader.
All articles published by MDPI are made immediately available worldwide under an open access license. No special permission is required to reuse all or part of the article published by MDPI, including figures and tables. For articles published under an open access Creative Common CC BY license, any part of the article may be reused without permission provided that the original article is clearly cited. For more information, please refer to https://www.mdpi.com/openaccess .
Feature papers represent the most advanced research with significant potential for high impact in the field. A Feature Paper should be a substantial original Article that involves several techniques or approaches, provides an outlook for future research directions and describes possible research applications.
Feature papers are submitted upon individual invitation or recommendation by the scientific editors and must receive positive feedback from the reviewers.
Editor’s Choice articles are based on recommendations by the scientific editors of MDPI journals from around the world. Editors select a small number of articles recently published in the journal that they believe will be particularly interesting to readers, or important in the respective research area. The aim is to provide a snapshot of some of the most exciting work published in the various research areas of the journal.
- Active Journals
- Find a Journal
- Proceedings Series
- For Authors
- For Reviewers
- For Editors
- For Librarians
- For Publishers
- For Societies
- For Conference Organizers
- Open Access Policy
- Institutional Open Access Program
- Special Issues Guidelines
- Editorial Process
- Research and Publication Ethics
- Article Processing Charges
- Testimonials
- SciProfiles
- Encyclopedia
Article Menu
- Subscribe SciFeed
- Recommended Articles
- PubMed/Medline
- Google Scholar
- on Google Scholar
- Table of Contents
Find support for a specific problem in the support section of our website.
Please let us know what you think of our products and services.
Visit our dedicated information section to learn more about MDPI.
JSmol Viewer
Comprehensive characterization of linalool-hp-β-cyclodextrin inclusion complexes.
Graphical Abstract
1. Introduction
2. results and discussion, 2.1. complexation of linalool with cds, 2.2. obtaining solid inclusion complexes linalool-hp-β-cds, stability of solid complexes, 2.3. characterization of linalool-hp-β-cds inclusion complexes, 2.3.1. 1 h and 2d nmr spectroscopy, 2.3.2. molecular docking, 2.3.3. differential scanning calorimetry (dsc) and thermogravimetric analysis (tg), 2.3.4. fourier transform infrared spectroscopy (ftir), 3. materials and methods, 3.1. materials, reagents and standards, 3.2. preparation of inalool-cyclodextrin inclusion complexes, 3.2.1. solubility studies, 3.2.2. complexation process by using microwave irradiation (mwi), 3.2.3. quantification of linalool by gc-ms analysis, 3.2.4. complexation constant (k c ) and complexation efficiency (ce) calculation, 3.3. preparation of linalool-hp-β-cyclodextrin inclusion complexes by spray dryer, field emission scanning electron microscope (fesem) images, 3.4. characterization of linalool-hp-β-cds inclusion complexes, 3.4.1. 1 h and 2d nmr spectroscopy, 3.4.2. molecular docking, 3.4.3. differential scanning calorimetry (dsc) and thermogravimetric analysis (tg), 3.4.4. fourier transform infrared spectroscopy (ftir), 4. conclusions, author contributions, acknowledgments, conflicts of interest.
- El Asbahani, A.; Miladi, K.; Badri, W.; Sala, M.; Addi, E.A.; Casabianca, H.; El Mousadik, A.; Hartmann, D.; Jilale, A.; Renaud, F.N.R.; et al. Essential oils: From extraction to encapsulation. Int. J. Pharm. 2015 , 483 , 220–243. [ Google Scholar ] [ CrossRef ] [ PubMed ]
- Ribeiro-Santos, R.; Andrade, M.; de Melo, N.R.; Sanches-Silva, A. Use of essential oils in active food packaging: Recent advances and future trends. Food Sci. Technol. 2017 , 61 , 132–140. [ Google Scholar ] [ CrossRef ]
- Burt, S. Essential oils: Their antibacterial properties and potential applications in foods-a review. Int. J. Food Microbiol. 2004 , 94 , 223–253. [ Google Scholar ] [ CrossRef ] [ PubMed ]
- Maguna, F.P.; Romero, A.M.; Garro, O.A.; Okulik, N.B. Actividad Antimicrobiana de un grupo de Terpenoides. Comunicaciones Científicas y Tecnológicas en Internet. Argent. Fac. Agroind. 2006 , 57 , 4–5. [ Google Scholar ]
- Fisher, K.; Phillips, C. The mechanism of action of a citrus oil blend against Enterococcus faecium and Enterococcus faecalis. J. Appl. Microbiol. 2009 , 106 , 1343–1349. [ Google Scholar ] [ CrossRef ] [ PubMed ]
- Guinoiseau, E.; Luciani, A.; Rossi, P.G.; Quilichini, Y.; Ternengo, S.; Bradesi, P.; Berti, L. Cellular effects induced by Inula graveolens and Santolina corsica essential oils on Staphylococcus aureus. Eur. J. Clin. Microbiol. Infect. Dis. 2010 , 29 , 873–879. [ Google Scholar ] [ CrossRef ] [ PubMed ][ Green Version ]
- Bajpai, V.K.; Baek, K.H.; Kang, S.C. Control of Salmonella in foods by using essential oils: A review. Food Res. Int. 2012 , 45 , 722–734. [ Google Scholar ] [ CrossRef ]
- Heredia-Guerrero, J.A.; Ceseracciu, L.; Guzman-Puyol, S.; Paul, U.C.; Alfaro-Pulido, A.; Grande, C.; Vezzulli, L.; Bandiera, T.; Bertorelli, R.; Russo, D.; et al. Antimicrobial, antioxidant, and waterproof RTV siliconeethyl cellulose composites containing clove essential oil. Carbohydr. Polym. 2018 , 192 , 150–158. [ Google Scholar ] [ CrossRef ]
- Rodríguez-López, M.I.; Mercader-Ros, M.T.; López-Miranda, S.; Pellicer, J.A.; Pérez-Garrido, A.; Pérez-Sánchez, H.; Nuñez-Delicado, E.; Gabaldón, J.A. Thorough characterization and stability of HP- β-cyclodextrin thymol inclusion complexes prepared microwave technology: A required approach to a successful application in food industry. J. Sci. Food Agric. 2019 , 99 , 1322–1333. [ Google Scholar ] [ CrossRef ]
- Cheng, B.-H.; Lin, C.-Y.; Yeh, T.-F.; Cheng, S.-S.; Chang, S.-T. Potential source of S-(+)-linalool from Cinnamomum osmophloeum ct. linalool leaf: Essential oil profile and enantiomeric purity. J. Agric. Food Chem. 2012 , 60 , 7623–7628. [ Google Scholar ] [ CrossRef ]
- Bakkali, F.; Averbeck, S.; Averbeck, D.; Idaomar, M. Biological effects of essential oils-A review. Food Chem. Toxicol. 2008 , 46 , 446–475. [ Google Scholar ] [ CrossRef ] [ PubMed ]
- Silva, F.; Ferreira, S.; Duarte, A.; Mendonca, D.I.; Domingues, F.C. Antifungal activity of Coriandrum sativum essential oil, its mode of action against Candida species and potential synergism with amphotericin B. Phytomedicine 2011 , 19 , 42–47. [ Google Scholar ] [ CrossRef ] [ PubMed ]
- Hussain, A.I.; Anwar, F.; Sherazi, S.T.H.; Przybylski, R. Chemical composition, antioxidant and antimicrobial activities of basil (Ocimum basilicum) essential oils depends on seasonal variations. Food Chem. 2008 , 108 , 986–995. [ Google Scholar ] [ CrossRef ]
- Quintans-Júnior, L.J.; Barreto, R.S.; Menezes, P.P.; Almeida, J.R.; Viana, A.F.S.; Oliveira, R.; Oliveira, A.P.; Gelain, D.P.; Lucca Júnior, W.; Araújo, A.A. β-Cyclodextrin-complexed (-)-linalool produces antinociceptive effect superior to that of (-)-linalool in experimental pain protocols. Basic Clin. Pharmacol. Toxicol. 2013 , 113 , 167–172. [ Google Scholar ] [ CrossRef ]
- Sell, C. A Fragrant Introduction to Terpenoid Chemistry , 1st ed.; Royal Society of Chemistry: Cambridge, UK, 2003; pp. 43–62. [ Google Scholar ] [ CrossRef ]
- Casabianca, H.; Graff, J.B.; Faugier, V.; Fleig, F.; Grenier, C. Enantiomeric distribution studies of linalool and linalyl acetate. A powerful tool for authenticity control of essential oils. J. High Resol. Chromatogr. 1998 , 21 , 107–112. [ Google Scholar ] [ CrossRef ]
- Sell, C.S. Kirk-Othmer Encyclopedia of Chemical Technology , 5th ed.; John Wiley: New York, NY, USA, 2007; pp. 468–592. [ Google Scholar ]
- Guimarães, A.G.; Quintans, J.S.; Quintans-Júnior, L.J. Monoterpenes with analgesic activity-a systematic review. Phytother. Res. 2013 , 27 , 1–15. [ Google Scholar ] [ CrossRef ] [ PubMed ]
- Letizia, C.S.; Cocchiara, J.; Lalko, J.; Api, A.M. Fragrance material review on linalool. Food Chem. Toxicol. 2003 , 41 , 943–964. [ Google Scholar ] [ CrossRef ]
- Aprotosoaie, A.C.; Hancianu, M.; Costache, I.-I.; Miron, A. Linalool: A review on a key odorant molecule with valuable biological properties. Flavour Fragr. J. 2014 , 29 , 193–219. [ Google Scholar ] [ CrossRef ]
- Kamatou, G.P.; Viljoen, A.M. Linalool-a review of a biologically active compound of commercial importance. Nat. Prod. Commun. 2008 , 3 , 1183–1192. [ Google Scholar ] [ CrossRef ][ Green Version ]
- Çelik, S.; Ozkaya, A. Effects of intraperitoneally administered lipoic acid, vitamin E, and linalool on the level of total lipid and fatty acids in guinea pig brain with oxidative stress induced by H 2 O 2 . BMB Rep. 2002 , 35 , 547–552. [ Google Scholar ] [ CrossRef ][ Green Version ]
- Anjos, P.J.; Lima, A.O.; Cunha, P.S.; De Sousa, D.P.; Onofre, A.S.; Ribeiro, T.P.; Medeiros, I.A.; Antoniolli, Â.R.; Quintans-Júnior, L.J.; Santos, M.R. Cardiovascular effects induced by linalool in normotensive and hypertensive rats. Z. Naturforsch. C 2013 , 68 , 181–190. [ Google Scholar ] [ CrossRef ] [ PubMed ]
- Huo, M.; Cui, X.; Xue, J.; Chi, G.; Gao, R.; Deng, X.; Guan, S.; Wei, J.; Soromou, L.W.; Feng, H. Anti-inflammatory effects of linalool in RAW 264.7 macrophages and lipopolysaccharide-induced lung injury model. J. Surg. Res. 2013 , 180 , 47–54. [ Google Scholar ] [ CrossRef ]
- Beier, R.C.; Byrd, J.A.; Kubena, L.F.; Hume, M.E.; McReynolds, J.L.; Anderson, R.C.; Nisbet, D.J. Evaluation of linalool, a natural antimicrobial and insecticidal essential oil from basil: Effects on poultry. Poult. Sci. J. 2014 , 93 , 267–272. [ Google Scholar ] [ CrossRef ]
- Wu, Q.; Yu, L.; Qiu, J.; Shen, B.; Wang, D.; Soromou, L.W.; Feng, H. Linalool attenuates lung inflammation induced by Pasteurella multocida via activating Nrf-2 signaling pathway. Int. Immunopharmacol. 2014 , 21 , 456–463. [ Google Scholar ] [ CrossRef ] [ PubMed ]
- Prakash, A.; Vadivel, V.; Rubini, D.; Nithyanand, P. Antibacterial and antibiofilm activities of linalool nanoemulsions against Salmonella Typhimurium . Food Biosci. 2019 , 28 , 57–65. [ Google Scholar ] [ CrossRef ]
- Rodríguez-López, M.I.; Mercader-Ros, M.T.; Pellicer, J.A.; Gómez-López, V.M.; Martínez-Romero, D.; Núñez-Delicado, E.; Gabaldón, J.A. Evaluation of monoterpene-cyclodextrin complexes as bacterial growth effective hurdles. Food Control 2020 , 108 , 106814. [ Google Scholar ] [ CrossRef ]
- Ciobanu, A.; Mallard, I.; Landy, D.; Brabie, G.; Nistor, D.; Fourmentin, S. Inclusion interactions of cyclodextrins and crosslinked cyclodextrin polymers with linalool and camphor in Lavandula angustifolia essential oil. Carbohydr. Polym. 2012 , 87 , 1963–1970. [ Google Scholar ] [ CrossRef ]
- Lucas-Abellán, C.; Fortea, M.I.; Gabaldón, J.A.; Núñez-Delicado, E. Complexation of resveratrol by native and modified cyclodextrins: Determination of complexation constant by enzymatic, solubility and fluorimetric assays. Food Chem. 2008 , 111 , 262–267. [ Google Scholar ] [ CrossRef ]
- Mercader-Ros, M.T.; Lucas-Abellan, C.; Gabaldón, J.A.; Fortea, M.I.; Martinez-Cacha, A.; Nuñez-Delicado, E. Kaempferol complexation in cyclodextrins at basic pH. J. Agric. Food Chem. 2010 , 58 , 4675–4680. [ Google Scholar ] [ CrossRef ]
- Ishiguro, T.; Sakata, Y.; Arima, H.; Iohara, D.; Anraku, M.; Uekama, K.; Hirayama, F. Release control of fragrances by complexation with β-cyclodextrin and its derivatives. J. Incl. Phenom. Macrocycl. Chem. 2018 , 92 , 147–155. [ Google Scholar ] [ CrossRef ]
- Kfoury, M.; Landy, D.; Auezova, L.; Greige-Gerges, H.; Fourmentin, S. Effect of cyclodextrin complexation on phenylpropanoids’ solubility and antioxidant activity. Beilstein J. Org. Chem. 2014 , 10 , 2322–2331. [ Google Scholar ] [ CrossRef ] [ PubMed ][ Green Version ]
- Hernández-Sánchez, P.; López-Miranda, S.; Guardiola, L.; Serrano-Martínez, A.; Gabaldón, J.A.; Nuñez-Delicado, E. Optimization of a method for preparing solid complexes of essential clove oil with β-cyclodextrins. J. Sci. Food Agric. 2017 , 97 , 420–426. [ Google Scholar ] [ CrossRef ] [ PubMed ]
- Rocha, G.A.; Fávaro-Trindade, C.S.; Grosso, C.R.F. Microencapsulation of lycopene by spray drying: Characterization, stability and application of microcapsules. Food Bioprod. Process. 2012 , 90 , 37–42. [ Google Scholar ] [ CrossRef ]
- Dufour, G.; Bigazzi, W.; Wong, N.; Boschini, F.; De Tullio, P.; Piel, G.; Cataldo, D.; Evrard, B. Interest of cyclodextrins in spray-dried microparticles formulation for sustained pulmonary delivery of budesonide. Int. J. Pharm. 2015 , 495 , 869–878. [ Google Scholar ] [ CrossRef ] [ PubMed ]
- Vehring, R. Pharmaceutical particle engineering via spray drying. Pharm. Res. 2008 , 25 , 999–1022. [ Google Scholar ] [ CrossRef ][ Green Version ]
- Alvarenga, D.; Vilela, S.; Fernandes, R.; Viana, A.; Gomes, J.; Marques, G. Evaluation of spray drying conditions on properties of microencapsulated oregano essential oil. Int. J. Food Sci. Technol. 2012 , 47 , 2289–2296. [ Google Scholar ] [ CrossRef ]
- Medina-Torres, L.; Santiago-Adame, R.; Calderas, F.; Gallegos-Infante, J.A.; González-Laredo, R.F.; Rocha-Guzmán, N.E.; Núñez-Ramírez, D.M.; Bernad-Bernad, M.J.; Manero, O. Microencapsulation by spray drying of laurel infusions (Litseaglaucescens) with maltodextrin. Ind. Crops Prod. 2016 , 90 , 1–8. [ Google Scholar ] [ CrossRef ]
- Arpagaus, C.; Schafroth, N. Spray drying of biodegradable polymers in laboratory scale. Respir. Drug Deliv. Eur. 2009 , 2019 , 269–274. [ Google Scholar ]
- Loftsson, T.; Jarho, P.; Masson, M.; Järvinen, T. Cyclodextrins in drug delivery. Expert Opin. Drug Deliv. 2005 , 2 , 335–351. [ Google Scholar ] [ CrossRef ]
- Dos Santos, C.; Buera, M.P.; Mazzobre, M.F. Influence of ligand structure and water interactions on the physical properties of β-cyclodextrins complexes. Food Chem. 2012 , 132 , 2030–2036. [ Google Scholar ] [ CrossRef ]
- Marqués, H.M.C. A review on cyclodextrin encapsulation of essential oils and volatiles. Flav. Frag. J. 2010 , 25 , 313–326. [ Google Scholar ] [ CrossRef ]
- Kohata, S.; Jyodoi, K.; Ohyoshi, A. Thermal decomposition of cyclodextrins (α-, β-, γ-, and modified β-CyD) and of metal-(β-CyD) complexes in the solid phase. Thermochim. Acta 1993 , 217 , 187–198. [ Google Scholar ] [ CrossRef ]
- Marini, A.; Berbenni, V.; Bruni, G.; Giordano, F.; Villa, M. Dehydration of β-cyclodextrin: Facts and opinions. Thermochim. Acta 1996 , 279 , 27–33. [ Google Scholar ] [ CrossRef ]
- Wen, J.; Liu, B.; Yuan, E.; Ma, Y.; Zhu, Y. Preparation and physicochemical properties of the complex of naringenin with hydroxypropyl-β-cyclodextrin. Molecules 2010 , 15 , 4401–4407. [ Google Scholar ] [ CrossRef ] [ PubMed ][ Green Version ]
- Menezes, P.P.; Serafini, M.R.; Quintans-Júnior, L.J.; Silva, G.F.; Oliveira, J.F.; Carvalho, F.M.S.; Souza, J.C.C.; Matos, J.R.; Alves, P.B.; Matos, I.L. Inclusion complex of (-)-linalool and β-cyclodextrin. J. Therm. Anal. Calorim. 2014 , 115 , 2429–2437. [ Google Scholar ] [ CrossRef ]
- Fernandes, L.P.; Éhen, Z.; Moura, T.F.; Novák, C.; Sztatisz, J. Characterization of Lippia sidoides oil extract-β-cyclodextrin complexes using combined thermoanalytical techniques. J. Therm. Anal. Calorim. 2004 , 78 , 557–573. [ Google Scholar ] [ CrossRef ]
- Yuan, C.; Jin, Z.; Xu, X. Inclusion complex of astaxanthin with hydroxypropyl-β-cyclodextrin: UV, FTIR, 1 H-NMR and molecular modeling studies. Carbohydr. Polym. 2012 , 89 , 492–496. [ Google Scholar ] [ CrossRef ]
- Higuchi, T.K.; Connors, A. Phase-solubility techniques. Adv. Anal. Chem. Instrum. 1965 , 4 , 117–211. [ Google Scholar ]
- Loftsson, T.; Brewster, M.E. Cyclodextrins as functional excipients: Methods to enhance complexation efficiency. J. Pharm. Sci. 2012 , 101 , 3019–3032. [ Google Scholar ] [ CrossRef ]
- Morris, G.M.; Huey, R.; Lindstrom, W.; Sanner, M.F.; Belew, R.K.; Goodsell, D.S.; Olson, A.J. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility. J. Comput. Chem. 2009 , 30 , 2785–2791. [ Google Scholar ] [ CrossRef ][ Green Version ]
- Trott, O.; Olson, A.J. Auto Dock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J. Comput. Chem. 2010 , 31 , 455–461. [ Google Scholar ] [ CrossRef ] [ PubMed ][ Green Version ]
Share and Cite
Rodríguez-López, M.I.; Mercader-Ros, M.T.; Lucas-Abellán, C.; Pellicer, J.A.; Pérez-Garrido, A.; Pérez-Sánchez, H.; Yáñez-Gascón, M.J.; Gabaldón, J.A.; Núñez-Delicado, E. Comprehensive Characterization of Linalool-HP-β-Cyclodextrin Inclusion Complexes. Molecules 2020 , 25 , 5069. https://doi.org/10.3390/molecules25215069
Rodríguez-López MI, Mercader-Ros MT, Lucas-Abellán C, Pellicer JA, Pérez-Garrido A, Pérez-Sánchez H, Yáñez-Gascón MJ, Gabaldón JA, Núñez-Delicado E. Comprehensive Characterization of Linalool-HP-β-Cyclodextrin Inclusion Complexes. Molecules . 2020; 25(21):5069. https://doi.org/10.3390/molecules25215069
Rodríguez-López, María Isabel, María Teresa Mercader-Ros, Carmen Lucas-Abellán, José Antonio Pellicer, Alfonso Pérez-Garrido, Horacio Pérez-Sánchez, María Josefa Yáñez-Gascón, José Antonio Gabaldón, and Estrella Núñez-Delicado. 2020. "Comprehensive Characterization of Linalool-HP-β-Cyclodextrin Inclusion Complexes" Molecules 25, no. 21: 5069. https://doi.org/10.3390/molecules25215069
Article Metrics
Article access statistics, further information, mdpi initiatives, follow mdpi.
Subscribe to receive issue release notifications and newsletters from MDPI journals
- school Campus Bookshelves
- menu_book Bookshelves
- perm_media Learning Objects
- login Login
- how_to_reg Request Instructor Account
- hub Instructor Commons
- Download Page (PDF)
- Download Full Book (PDF)
- Periodic Table
- Physics Constants
- Scientific Calculator
- Reference & Cite
- Tools expand_more
- Readability
selected template will load here
This action is not available.
NMR: Structural Assignment
- Last updated
- Save as PDF
- Page ID 7821
- Background to C-13 NMR
- Determine Structure with Combined Spectra
- High Resolution Proton NMR Spectra This page describes how you interpret simple high resolution nuclear magnetic resonance (NMR) spectra. It assumes that you have already read the background page on NMR so that you understand what an NMR spectrum looks like and the use of the term "chemical shift". It also assumes that you know how to interpret simple low resolution spectra.
- Interpreting C-13 NMR Spectra
- Introduction to Proton NMR This page describes what a proton NMR spectrum is and how it tells you useful things about the hydrogen atoms in organic molecules.
- Low Resolution Proton NMR Spectra
- More About Electronics
- Multiplicity in Proton NMR
- NMR11. More About Multiplicity
- NMR14. More Practice with NMR Spectroscopy
- NMR2. Carbon-13 NMR
- NMR3. Symmetry in NMR
- NMR4. 13C NMR and Geometry
- NMR5. 13C NMR and Electronics
- NMR8. Chemical Shift in 1H NMR
- NMR Appendix. Useful Charts for NMR identification
linalool 3,7-dimethyl-1,6-octadien-3-ol
Supplier sponsors.
Analytical Letters
Proton nmr assay of essential oils viii. assay of linalool in coriander oil.
- Download citation
- https://doi.org/10.1080/00032718208069510
![Sample our Physical Sciences journals, sign in here to start your FREE access for 14 days](https://www.tandfonline.com/{"type":"image" , "src" : "/sda/110819/TOC-Subject-Sample-2021-Physical-Sciences.jpg"} "linalool nmr assignment")
SPECTROMETRY
- Reprints & Permissions
- Get access /doi/epdf/10.1080/00032718208069510?needAccess=true
A quantitative assay for linalool in a commercial sample of coriander oil is described. Good agreement was obtained with results found by the acetylation method. No interference from other oil constituents was noted.
- Coriander Oil
Reprints and Corporate Permissions
Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?
To request a reprint or corporate permissions for this article, please click on the relevant link below:
Academic Permissions
Obtain permissions instantly via Rightslink by clicking on the button below:
If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form . For more information, please visit our Permissions help page .
- More Share Options
Related research
People also read lists articles that other readers of this article have read.
Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.
Cited by lists all citing articles based on Crossref citations. Articles with the Crossref icon will open in a new tab.
- People also read
- Recommended articles
Your download is now in progress and you may close this window
- Choose new content alerts to be informed about new research of interest to you
- Easy remote access to your institution's subscriptions on any device, from any location
- Save your searches and schedule alerts to send you new results
- Export your search results into a .csv file to support your research
Login or register to access this feature
Register now or learn more
Biomolecular NMR Assignments
Biomolecular NMR Assignments provides a forum for publishing sequence-specific resonance assignments for proteins and nucleic acids as Assignment Notes. Chemical shifts for NMR-active nuclei in macromolecules contain detailed information on molecular conformation and properties .
Publication of resonance assignments in Biomolecular NMR Assignments ensures that these data are deposited into a public database at BioMagResBank (BMRB; https://bmrb.io), where they are available to other researchers. Coverage includes proteins and nucleic acids ; Assignment Notes are processed for rapid online publication and are published in biannual online editions in June and December.
Details Concerning the Submission and Publication Procedures: - No Page Charges - No Fees for Online Color Images - Optional Color Images in Print – Euro 950,- - Optional Open Access Publication Fee (APC) – USD 3000,- / Euro 2200,-
- A forum in print and online for publishing sequence-specific resonance assignments for proteins and nucleic acids
- These data are deposited into a public database at BioMagResBank
- Assignment Notes are published in biannual printed editions in June and December
Journal information
Journal metrics, latest issue.
Issue 2, October 2022
Latest articles
Backbone nmr assignment of the yeast expressed fab fragment of the nistmab reference antibody, authors (first, second and last of 7).
- Tsega L. Solomon
- Kinlin Chao
- Robert G. Brinson
- Content type: Article
- Published: 01 March 2023
Backbone and side chain chemical shift assignment of diisopropyl fluorophosphatase (DFPase) from Loligo vulgaris , an organophosphorus-degrading enzyme
Authors (first, second and last of 6).
- Julian C.-H. Chen
- Marco Tonelli
- Robert F. Williams
- Published: 10 February 2023
1 H, 13 C, 15 N Backbone and sidechain chemical shift assignments of the C-terminal domain of human UDP-glucuronosyltransferase 2B17 (UGT2B17-C)
Authors (first, second and last of 4).
- Anamika Sulekha
- Michael J. Osborne
- Katherine L. B. Borden
- Published: 09 February 2023
Backbone NMR resonance assignment of the apo human Tsg101-UEV domain
- Danai Moschidi
- François-Xavier Cantrelle
- Xavier Hanoulle
- Published: 06 February 2023
Chemical shift assignments of calmodulin bound to the GluN1 C0 domain (residues 841–865) of the NMDA receptor
- James B. Ames
- Open Access
- Published: 05 February 2023
For authors
Working on a manuscript.
Avoid the most common mistakes and prepare your manuscript for journal editors.
About this journal
- Biological Abstracts
- Chemical Abstracts Service (CAS)
- EBSCO Biomedical Reference Collection
- EBSCO Discovery Service
- Google Scholar
- INIS Atomindex
- Japanese Science and Technology Agency (JST)
- Journal Citation Reports/Science Edition
- Norwegian Register for Scientific Journals and Series
- OCLC WorldCat Discovery Service
- ProQuest-ExLibris Primo
- ProQuest-ExLibris Summon
- Science Citation Index Expanded (SCIE)
- TD Net Discovery Service
- UGC-CARE List (India)
Rights and permissions
Springer policies
© Springer Nature B.V.
- Wired Chemist
- COVID-19; Knowns, Unknowns, and Questions
- Instructional
- Bibliography
(-)-linalool Proton Full Spectrum
- 4-acetylpyridene
- 2-aminoacetophenone
- m-anisaldehyde
- benzaldehyde
- p-anisaldehyde
- Benzothiazole
- Benzonitrile
- Benzotrifluoride
- Benzylacetone
- benzyl propionate
- n-benzylmethylamine
- 1-benzyl-4-hydroxy piperidone
- Bicyclo[2.2.1]hepta-2,5-diene
- 3-bromoacetophenone
- 4-bromoanisole
- 2-(2-bromoethyl)-1,3-dioxolane
- p-dibromobenzene
- (bromomethyl)cyclohexane
- 2-bromoethyl-1,3-dioxolane
- 1,2-dibromohexane
- 4-bromophenetole
- t-butyl acetate
- t-butylcyclohexanone
- Butyl benzoate
- butyl propionate
- Butyrolactone
- (1R)-(+)-camphor
- 1-carbethoxy-4-piperidone
- 2-chlorobenzaldehyde
- 1-chloro-3-phenyl propane
- 6-chloro-1-hexanol
- 2-chloro-2-methylpropane
- a,2-dichlorotoluene
- 4-chromanone
- Cinnamic acetate
- Cinnamic alcohol
- Cyclohexene oxide
- 1-cyclohexyl-2-pyrrolidone
- cis-cis-1,3-cyclooctadiene
- Cyclopropylmethylketone
- cyclopropyl phenyl ketone
- Dicyclopropylketone
- p-diethylaminobenzaldehyde
- Diethyl ether
- p-ethylaniline
- Ethyl-5-bromovalerate
- Ethylacetophenone
- Ethyl cinnamate
- ethyl trans-crotonate
- ethyl trans 3-ethoxycrotonate
- N,N-diethyl-p-toluidine
- o-trifluoroacetophenone
- 4-fluorobenzotrifluoride
- 2-fluorobenzyl chloride
- 3-fluorotoluene
- N-ethyl-o-toluidine
- 2-fluorobenzaldehyde
- 1,2-difluorobenzene
- 1,3-difluorobenzene
- Geranyl acetate
- m-iodoanisole
- o-iodotoluene
- p-iodoanisole
- 2-iodo-m-xylene
- Isobutyric acid
- (R)-(+)-limonene
- 2-isopropylnitrobenzene
- (-)-linalool
- 2,6-lutidene-N-oxide
- Dimethyl allylmalonate
- 2,4,6-trimethylaniline
- 4-methylbenzaldehyde
- 4-methylbenzonitrile
- methyl cyclopropane methanol
- 1,3,5-trimethylbenzene
- 2,3-dimethyl-2-butanol
- 6-methyl-5-hepten-2-ol
- 6-methyl-5-hepten-2-one
- 2-methyl-3-hexanone
- 3-methyl-5-hexanone
- 2-methyl-3-hexanol
- 5-methyl-5-hexen-2-one
- 3-methylheptane
- 2,4-dimethyl-4-heptanol
- 2-methyl-1-pentanol
- 3-methyl-1-pentanol
- 4-methyl-1-pentanol
- 3-methyl-3-pentanol
- 2,4-dimethyl-3-pentanol
- Dimethyl methylmalonate
- N,N-dimethylpivalamide
- Methyl-2-oxo-1-pyrrolidone acetate
- 4-trimethylsilyl morpholine
- N,N-dimethyl-o-toluidine
- methyl 4-methoxybenzoate
- 3,7-dimethyl-3-octanol
- o-methoxyacetophenone
- neopentyl chloride
- Neopentyl iodide
- 7-norbornadienyl t-butyl ether
- Phenylacetylene
- 3-phenyl propyl propionate
- (1s)-(-)-b-pinene
- 1-phenyl-2-propanol
- propargyl benzoate
- 1,3 propanediol
- Propyl acetate
- Propyl benzoate
- Propyl butyrate
- Propyl proprionate
- 2-phenyl-1-propanol
- 2-phenylbutyric acid
- 3-phenylbutyric acid
- Cis-stilbene
Spectra Types
- Full Spectrum
- Non-Decoupled
- Other Procedures
Copyright © 2023 Claude Yoder. All rights reserved.
Please note that Internet Explorer version 8.x is not supported as of January 1, 2016. Please refer to this support page for more information.
- Purchase PDF
Phytochemistry
Plant chemistry linalool and cineole type glucosides from cunila spicata ☆ , ☆☆.
The leaves of Cunila spicata yielded a monoterpenetriol and six glycosidic terpenoids derived from linalool, hydroxylated linalool and 1,8-cineole: 3,7-dimethyl-oct-1-ene-3,6,7-triol, linalool -O-β- d -glucopyranoside , 3,7- dimethyl-octa-1,6-diene-3,8-diol-3 -O-β- d -glucopyranoside as well as 3,7- dimethyl-octa-1,5-diene-3,7-diol-3 -O-β- d -glucopyranoside , 3,7-dimethyl-octa-1,7-diene-3,6-diol-7 -O-β- d -glucopyranoside , 3,7-dimethyl-oct-1-ene-3,6,7-triol-6 -O-β- d -glucopyranoside and (1 S ,4 R ,6 R )-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6- O - β -glucopyranoside. The structures of the glucosides were established by chemical and spectroscopic methods especially high field NMR techniques.
- Previous article in issue
- Next article in issue
Cited by (0)
Partly presented as poster at the 18th Belgian-Dutch ‘LOF-Symposium’ on pharmacognosy and natural products chemistry, Groningen, The Netherlands [Manns, D. (1993) Pharm. World Sci. 15 , Suppl. H, H-10].
Partly presented as poster at the 18th Belgain-Dutch ‘LOF-Symposium’ on pharmacognosy and natural products chemistry, Groningen, The Netherlands [Manns, D. (1993) Pharm. World Sci. 15 , Suppl. H, H-10].
An official website of the United States government
The .gov means it’s official. Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.
The site is secure. The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.
- Publications
- Account settings
- My Bibliography
- Collections
- Citation manager
Save citation to file
Email citation, add to collections.
- Create a new collection
- Add to an existing collection
Add to My Bibliography
Your saved search, create a file for external citation management software, your rss feed.
- Search in PubMed
- Search in NLM Catalog
- Add to Search
Mechanistic Insights on Skin Sensitization to Linalool Hydroperoxides: EPR Evidence on Radical Intermediates Formation in Reconstructed Human Epidermis and 13 C NMR Reactivity Studies with Thiol Residues
Affiliations.
- 1 Dermatochemistry Laboratory, University of Strasbourg, CNRS, UMR 7177, F-67000 Strasbourg, France.
- 2 POMAM Laboratory, University of Strasbourg, CNRS, UMR 7177, F-67000 Strasbourg, France.
- 3 French EPR Federation of Research, REseau NAtional de RPE interDisciplinaire, RENARD, Fédération IR-RPE CNRS 3443, F-67000 Strasbourg, France.
- PMID: 32441093
- DOI: 10.1021/acs.chemrestox.0c00125
Linalool is one of the most commonly used fragrance terpenes in consumer products. While pure linalool is considered as non-allergenic because it has a very low skin sensitization potential, its autoxidation on air leads to allylic hydroperoxides that have been shown to be major skin sensitizers. These hydroperoxides have the potential to form antigens via radical mechanisms. In order to obtain in-depth insights of such reactivity, we first investigated the formation of free radicals derived from linalool hydroperoxides in situ in a model of human reconstructed epidermis by electron paramagnetic resonance combined with spin trapping. The formation of carbon- and oxygen-centered radical species derived from the hydroperoxides was especially evidenced in an epidermis model, mimicking human skin and thus closer to what may happen in vivo . To further investigate these results, we synthesized linalool hydroperoxides containing a 13 C-substitution at positions precursor of carbon radicals to elucidate if one of these positions could react with cysteine, its thiol chemical function being one of the most labile groups prone to react through radical mechanisms. Reactions were followed by mono- and bidimensional 13 C NMR. We validated that carbon radicals derived from allylic hydrogen abstraction by the initially formed alkoxyl radical and/or from its β-scission can alter directly the lateral chain of cysteine forming adducts via radical processes. Such results provide an original vision on the mechanisms likely involved in the reaction with thiol groups that might be present in the skin environment. Consequently, the present findings are a step ahead toward the understanding of protein binding processes to allergenic allylic hydroperoxides of linalool through the involvement of free radical species and thus of their sensitizing potential.
Similar articles
- Carbon- and oxygen-centered radicals are equally important haptens of allylic hydroperoxides in allergic contact dermatitis. Johansson S, Giménez-Arnau E, Grøtli M, Karlberg AT, Börje A. Johansson S, et al. Chem Res Toxicol. 2008 Aug;21(8):1536-47. doi: 10.1021/tx800104c. Epub 2008 Jul 3. Chem Res Toxicol. 2008. PMID: 18597496
- Autoxidized citronellol: Free radicals as potential sparkles to ignite the fragrance induced skin sensitizing pathway. Sahli F, Vileno B, Gourlaouen C, Giménez-Arnau E. Sahli F, et al. Food Chem Toxicol. 2022 Aug;166:113201. doi: 10.1016/j.fct.2022.113201. Epub 2022 Jun 6. Food Chem Toxicol. 2022. PMID: 35671905
- Synthesis of allylic hydroperoxides and EPR spin-trapping studies on the formation of radicals in iron systems as potential initiators of the sensitizing pathway. Kao D, Chaintreau A, Lepoittevin JP, Giménez-Arnau E. Kao D, et al. J Org Chem. 2011 Aug 5;76(15):6188-200. doi: 10.1021/jo200948x. Epub 2011 Jun 28. J Org Chem. 2011. PMID: 21648947
- Potential of EPR spin-trapping to investigate in situ free radicals generation from skin allergens in reconstructed human epidermis: cumene hydroperoxide as proof of concept. Kuresepi S, Vileno B, Turek P, Lepoittevin JP, Giménez-Arnau E. Kuresepi S, et al. Free Radic Res. 2018 Feb;52(2):171-179. doi: 10.1080/10715762.2017.1420906. Epub 2018 Jan 15. Free Radic Res. 2018. PMID: 29334799
- Electron paramagnetic resonance and spin trapping to detect free radicals from allergenic hydroperoxides in contact with the skin: From the molecule to the tissue. Vileno B, Port-Lougarre Y, Giménez-Arnau E. Vileno B, et al. Contact Dermatitis. 2022 Apr;86(4):241-253. doi: 10.1111/cod.14037. Epub 2022 Jan 30. Contact Dermatitis. 2022. PMID: 34982482 Review.
Publication types
- Search in MeSH
Related information
- PubChem Compound (MeSH Keyword)
LinkOut - more resources
Full text sources.
- American Chemical Society
- Citation Manager
NCBI Literature Resources
MeSH PMC Bookshelf Disclaimer
The PubMed wordmark and PubMed logo are registered trademarks of the U.S. Department of Health and Human Services (HHS). Unauthorized use of these marks is strictly prohibited.
An official website of the United States government
Here’s how you know
Official websites use .gov A .gov website belongs to an official government organization in the United States.
Secure .gov websites use HTTPS A lock ( Lock A locked padlock ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.
https://www.nist.gov/publications/backbone-nmr-assignment-yeast-produced-fab-fragment-nistmab-reference-antibody
Backbone NMR assignment of the yeast produced Fab fragment of the NISTmAb reference antibody
Download paper, additional citation formats.
- Google Scholar
IMAGES
VIDEO
COMMENTS
Linalool (78-70-6) 1H NMR spectrum 18162-48-6 Methylene Chloride naphthalene THF Back ChemicalBook Home > CAS DataBase List > 78-70-6More Spectrum > Linalool (78-70-6) 1 H NMR Linalool (78-70-6) 1 H NMR Product Name Linalool CAS 78-70-6 Molecular Formula C10H18O Molecular Weight 154.25
Linalool | C10H18O | CID 6549 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities, safety/hazards/toxicity information, supplier lists, and more. This application requires Javascript. Please turn on Javascript in order to use this application.
Linalool Formula: C 10 H 18 O Molecular weight: 154.2493 IUPAC Standard InChI: InChI=1S/C10H18O/c1-5-10 (4,11)8-6-7-9 (2)3/h5,7,11H,1,6,8H2,2-4H3 IUPAC Standard InChIKey: CDOSHBSSFJOMGT-UHFFFAOYSA-N CAS Registry Number: 78-70-6 Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file
NMR: linalool « Previous Compound Next Compound » NMR - Compound linalool [ MS ] [ Behavioural function ] [ Kovats ] [ Synthesis ] [ Chemdraw ] Dots surface: no dots vanderWaals dots surface solvent-accessible surface Spacefill: spacefill off spacefill 20% spacefill 95% Wireframe: wireframe off wireframe on wireframe .15 wireframe .25 wireframe .5
Linalool View entire compound with free spectra: 1 NMR 13 C Nuclear Magnetic Resonance (NMR) Chemical Shifts View the Full Spectrum for FREE! View the Full Spectrum for FREE! The full spectrum can only be viewed using a FREE account. Properties
The Automated Topology Builder (ATB) and Repository is intended to facilitate the development of molecular force fields for Molecular Dynamics or Monte Carlo simulations of biomolecular systems. Applications include the study of biomolecule:ligand complexes, free energy calculations, structure-based drug design and refinement of x-ray crystal complexes.
1 H-NMR spectra of linalool, CDs, and the inclusion complexes (dissolved in D 2 O) were recorded on an Avance 600 MHz spectrometer (Bruker, Karlsruhe, Germany) at 25 °C. Chemical shifts given in parts per million (ppm), are relative to a tetramethyl silane internal standard (δ = 0.0), and NMR data were processed with MestReNova software (6.0. ...
NMR: Structural Assignment. This page describes how you interpret simple high resolution nuclear magnetic resonance (NMR) spectra. It assumes that you have already read the background page on NMR so that you understand what an NMR spectrum looks like and the use of the term "chemical shift". It also assumes that you know how to interpret simple ...
100787 Linalool coeur naturel. 99221011 Linalool nat 100% Pure & Natural, Kosher. 99254088 Linalool type rosewood Natural identical, Kosher. Our linalool type rosewoodis the result of an intense formulation work.This reference is the perfect substitute for Linalool ex Rosewood, which remains the best quality.
A quantitative assay for linalool in a commercial sample of coriander oil is described. Good agreement was obtained with results found by the acetylation method. ... Proton NMR Assay of Essential Oils VIII. Assay of Linalool in Coriander Oil. Humeida A. El-obeid Departments of Pharmaceutical Chemistry and Pharmacognosy , College of Pharmacy, ...
Lavender oil mainly contains 40% linalyl acetate and 30% linalol. One is terpene alcohol and later one is the acetate ester of linalool and both having anti-microbial activities and provide a...
Background: Ocimum basilicum L. (sweet basil) is known to occur as several chemotypes or cultivars that differ in their essential oil composition. The surprising discovery of 3,7-dimethylocta-1,7-dien-3-ol, the rare α isomer of the well-known monoterpene alcohol β-linalool (3,7-dimethylocta-1,6-dien-3-ol), in samples of Serbian basil oil provoked an investigation of the origin of α-linalool ...
Aims & scope Biomolecular NMR Assignments provides a forum for publishing sequence-specific resonance assignments for proteins and nucleic acids as Assignment Notes. Chemical shifts for NMR-active nuclei in macromolecules contain detailed information on molecular conformation and properties. — show all Editor-in-Chief Christina Redfield
Compound - linalool ... 78-70-6 : MW: 154.25 [ NMR] [ Kovats] [Behavioural function] [Occurrence in plant] Dots surface: Reference(s) for synthesis of 2,6-Dimethyl-2,7-octadien-6-ol. Howell, A.R., and Pattenden, G. 1990. Regioselective hydroxylations of 1,3-dienes via hydrocobaltation reactions. ...
Spectra Types. Proton. Full Spectrum; Integrals; Carbon-13. Full Spectrum; Expansion
In addition to the H-H COSY, the different intensities of the signals permitted a clear assignment of the signals without fur- ther separation of the compounds. From the 1H NMR spectrum a 4C1 (D) conformation of the fl-D-glucopyran- osyl residues was indicated by the coupling constants (J1',2' ~ 8 Hz, J2',3' ~ Ja,,4, -~ J4,,5, ~ 9 Hz).
linalool from plant materials is of great importance. In the literature, gas chromatography (GC) has been widely used for the determination of organic compounds [9-13], and has also been applied for the determination of linalool in plant samples [14-16]. Linalool in plant samples was usually determined by GC-MS [14-16], but linalool in
While pure linalool is considered as non-allergenic because it has a very low skin sensitization potential, its autoxidation on air leads to allylic hydroperoxides that have been shown to be major skin sensitizers. ... EPR Evidence on Radical Intermediates Formation in Reconstructed Human Epidermis and 13 C NMR Reactivity Studies with Thiol ...
Backbone NMR assignment of the yeast produced Fab fragment of the NISTmAb reference antibody | NIST Backbone NMR assignment of the yeast produced Fab fragment of the NISTmAb reference antibody Published March 1, 2023 Author (s) Tsega Solomon, Kinlin Chao, Genevieve Gingras, Yves Aubin, William Brad O'Dell, John Marino, Robert Brinson Abstract
Borneol is consumed excessively in China and Southeast Asian countries particularly in combined formula for preventing cardiovascular disease, but few studies were conducted on its effects on thrombosis. In this study, the antithrombotic and antiplatelet activities of borneol were investigated on thrombosis in vivo and on platelet aggregation ex-vivo.