Linalyl acetate

• Formula: C₁₂H₂₀O₂
• Molecular weight: 196.2860
• IUPAC Standard InChI: InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3 Copy

  
• IUPAC Standard InChIKey: UWKAYLJWKGQEPM-UHFFFAOYSA-N Copy
• CAS Registry Number: 115-95-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate; Acetic acid linalool ester; Bergamiol; Bergamol; Bergamot mint oil; Linalool acetate; 1,5-Dimethyl-1-vinyl-4-hexenyl acetate; Licareol acetate; Linalol acetate; Lynalyl acetate; 3,7-Dimethyl-1,6-octadien-3-ol acetate; 3,7-Dimethyl-1,6-octadien-3-yl acetate; Phanteine; (.+/-.)-Linalyl acetate; 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate; Linaloyl acetate; NSC 2138; (+)-Linalyl acetate
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• Information on this page:
  • Normal alkane RI, non-polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Normal alkane RI, non-polar column, custom temperature program

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

References

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Albano, Lima, et al., 2012
Albano, S.M.; Lima, A.S.; Miguel, M.G.; Pedro, L.G.; Barroso, J.G.; Figueiredo, A.C., Antioxidant, anti-5-lipoxygenase and antiacetylcholinesterase activities of essential oils and decoction water of some aromatic plants, Rec. Nat. Prod., 2012, 6, 1, 35-48. [all data]

Mondello, 2012
Mondello, L., HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis) in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]

Sharopov, Sulaimonova, et al., 2012
Sharopov, F.S.; Sulaimonova, V.A.; Setzer, W.N., Composition of the essential oil of Ertemisia absinthium from Tajikistan, Rec. Nat. Prod., 2012, 6, 2, 127-134. [all data]

VOC BinBase, 2012
VOC BinBase, The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]

Laribi, Kouki, et al., 2011
Laribi, B.; Kouki, K.; Sahli, A.; Mougou, A.; Marzouk, B., Essential oil fatty acids composition of a Tunisian caraway (Carum carvi L.) seed ecotype cultivated under water deficit, Adv. Environ. Biol., 2011, 1-15, retrieved from http://www.thefreelibrary.com/_/print/PrintArticle.aspx?id=253057768. [all data]

Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G., Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance, J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205 . [all data]

Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O., VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]

Usano-Alemany, Penalver, et al., 2011
Usano-Alemany, J.; Penalver, D.H.; Ortiz, J.C.; Lopez, B. deB.; Ruiz, O.S.; Pala-Paul, J., Ecological production of lavenders in Cuenca province (Spain). A study of yield production and quality of the essential oil, Botanica Computensis, 2011, 35, 147-152. [all data]

Scherer, Wagner, et al., 2010
Scherer, R.; Wagner, R.; Meireles, M.A.A.; Godoy, H.T.; Duarte, M.C.T.; Filho, J.T., Biological activity and chemical composition of hydrodistilled and supercritical extracts of Xanthium strumarium L. leaves, J. Essen. Oil. Res., 2010, 22, 5, 424-429, https://doi.org/10.1080/10412905.2010.9700363 . [all data]

Keefover-Ring, Thompson, et al., 2009
Keefover-Ring, K.; Thompson, J.D.; Linhart, Y.B., Beyond six scents: defining a seventh Thymus vulgaris chemotype new to souithern France by ethanol extraction, Flavour Fragr. J., 2009, 24, 3, 117-122, https://doi.org/10.1002/ffj.1921 . [all data]

Mancini, Arnold, et al., 2009
Mancini, E.; Arnold, N.A.; De Martino, L.; De Feo, V.; Formisano, C.; Rigano, D.; Senatore, F., Chemical composition and phytotoxic effects of essential oils of Salvia hierosolymitana Boiss. and Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon, Molecules, 2009, 14, 11, 4725-4736, https://doi.org/10.3390/molecules14114725 . [all data]

Porto, Decorti, et al., 2009
Porto, C.Da.; Decorti, D.; Kikic, I., Flavour compounds of Lavandula angustifolia L. to use in food manufacturing: comparison of three different extraction methods, Food Chem., 2009, 112, 4, 1072-1078, https://doi.org/10.1016/j.foodchem.2008.07.015 . [all data]

Lo Presti, Sciarrone, et al., 2008
Lo Presti, M.; Sciarrone, D.; Crupi, M.C.; Costa, R.; Ragusa, S.; Dugo, G.; Mondello, L., Evaliation of the volatile and chiral composition in Pistacia lentiscus L. essential oil, Flavour Fragr. J., 2008, 23, 4, 249-257, https://doi.org/10.1002/ffj.1878 . [all data]

Kamatou, Viljoen, et al., 2007
Kamatou, G.P.P.; Viljoen, A.M.; Figueiredo, A.C.; Tilney, P.M.; Van Zyl, R.L.; Barroso, J.G.; Pedro, L.G.; Van Vuuren, S.F., Trichomes, essential oil composition and biological activities of Salvia albanicus Benth. and S. dolomitica Codd, two species from the Cape region of Soith Africa, South African J. Botany, 2007, 73, 1, 102-108, https://doi.org/10.1016/j.sajb.2006.08.001 . [all data]

Lucchesi, Smadja, et al., 2007
Lucchesi, M.E.; Smadja, J.; Bradshaw, S.; Louw, W.; Chemat, F., Solvent free microwave extraction of Elletaria cardamomum L.: A multivariate study of a new technique for the extraction of essential oil, J. Food Eng., 2007, 79, 3, 1079-1086, https://doi.org/10.1016/j.jfoodeng.2006.03.029 . [all data]

Chemat, Lucchesi, et al., 2006
Chemat, F.; Lucchesi, M.E.; Smadja, J.; Favretto, L.; Colnaghi, G.; Visinoni, F., Microwave accelerated steam distillation of essential oil from lavender: A rapid, clean and environmentally friendly approach, Anal. Chim. Acta., 2006, 555, 1, 157-160, https://doi.org/10.1016/j.aca.2005.08.071 . [all data]

Goodner, Mahattanatawee, et al., 2006
Goodner, K.L.; Mahattanatawee, K.; Plotto, A.; Sotomayor, J.A.; Jordan, M.J., Aromatic profiles of Thymus hyemalis and Spanish T. vulgaris essential oils by GC-MS/GC-O, Ind. Crops Prod., 2006, 24, 3, 264-268, https://doi.org/10.1016/j.indcrop.2006.06.006 . [all data]

Iriti, Colnaghi, et al., 2006
Iriti, M.; Colnaghi, G.; Chemat, F.; Smadja, J.; Faoro, F.; Visinoni, F.A., Histo-cytochemistry and scanning electron microscopy of lavender glandular trichomes following conventional and microwave-assisted hydrodistillation of essential oils: a comparative study, Flavour Fragr. J., 2006, 21, 4, 704-712, https://doi.org/10.1002/ffj.1692 . [all data]

Jordan, Martinez, et al., 2006
Jordan, M.J.; Martinez, R.M.; Goodner, K.L.; Baldwin, E.A.; Sotomayor, J.A., Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition, Ind. Crops Prod., 2006, 24, 3, 253-263, https://doi.org/10.1016/j.indcrop.2006.06.011 . [all data]

Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M., Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity, Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020 . [all data]

Tuberoso, Barra, et al., 2006
Tuberoso, C.I.G.; Barra, A.; Angioni, A.; Sarritzu, E.; Pirisi, F.M., Chemical Composition of Volatiles in Sardinian Myrtle (Myrtus communis L.) Alcoholic Extracts and Essential Oils, J. Agric. Food Chem., 2006, 54, 4, 1420-1426, https://doi.org/10.1021/jf052425g . [all data]

Koutsoudaki, Krsek, et al., 2005
Koutsoudaki, C.; Krsek, M.; Rodger, A., Chemical composition and antibacterial activity of the essential oil and the gum of pistacia lentiscus Var. chia, J. Agric. Food Chem., 2005, 53, 20, 7681-7685, https://doi.org/10.1021/jf050639s . [all data]

Omidbaigi and Bastan, 2005
Omidbaigi, R.; Bastan, M.R., Essential oil content and composition of marjoram cultivated in north of Iran, JEOBP, 2005, 8, 1, 56-60. [all data]

Miguel, Simões, et al., 2004
Miguel, G.; Simões, M.; Figueiredo, A.C.; Barroso, J.G.; Pedro, L.G.; Carvalho, L., Composition and antioxidant activities of the essential oils of Thymus caespititius, Thymus camphoratus and Thymus mastichina, Food Chem., 2004, 86, 2, 183-188, https://doi.org/10.1016/j.foodchem.2003.08.031 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Faleiro, Miguel, et al., 2003
Faleiro, M.L.; Miguel, M.G.; Ladeiro, F.; Venancio, F.; Tavares, R.; Brito, J.C.; Figueiredo, A.C.; Barroso, J.G.; Pedro, L.G., Antimicrobial activity of essential oils isolated from Portuguese endemic species of Thymus, Lett. Appl. Microbiol., 2003, 36, 1, 35-40, https://doi.org/10.1046/j.1472-765X.2003.01259.x . [all data]

Jordán, Martínez, et al., 2003
Jordán, M.J.; Martínez, R.M.; Cases, M.A.; Sotomayor. J.A., Watering level effect on Thymus hyemalis lange essential oil yield and composition, J. Agric. Food Chem., 2003, 51, 18, 5420-5427, https://doi.org/10.1021/jf034335m . [all data]

Usai, Atzei, et al., 2003
Usai, M.; Atzei, A.; Pintore, G.; Casanova, I., Composition and variability of the essential oil of Sardinian Thymus herba-barona Loisel, Flavour Fragr. J., 2003, 18, 1, 21-25, https://doi.org/10.1002/ffj.1137 . [all data]

Kilic, 2002
Kilic, A., Volatile compounds of buds, flowers and fruits of bay (Laurus nobilis L.) and their odour contribution, Proc. ICNP-2002 - Trabzon/Turkiye, 2002, 338-341. [all data]

Nogueira and Romano, 2002
Nogueira, J.M.F.; Romano, A., Essential oils from micropropagated plants of Lavandula viridis, Phytochem. Anal., 2002, 13, 1, 4-7, https://doi.org/10.1002/pca.609 . [all data]

Figueiredo, Miguel, et al., 2001
Figueiredo, A.C.; Miguel, M.G.; Duarte, A.M.F.; Barroso, J.G.; Pedro, L.G., Essential oil composition of Thymus lotocephallus G. López R. Morales, collected during flowering and vegetative phases, Flavour Fragr. J., 2001, 16, 6, 417-421, https://doi.org/10.1002/ffj.1028 . [all data]

Petrakis, Tsitsimpikou, et al., 2001
Petrakis, P.V.; Tsitsimpikou, C.; Tzakou, O.; Couladis, M.; Vagias, C.; Roussis, V., Needle volatiles from five Pinus species growing in Greece, Flavour Fragr. J., 2001, 16, 4, 249-252, https://doi.org/10.1002/ffj.990 . [all data]

Shang, Hu, et al., 2001
Shang, C.; Hu, Y.; Deng, C.; Hu, K., Rapid determination of volatile constituents of Michelia alba flowers by gas chromatography - mass spectrometry with solid-phase microextraction, J. Chromatogr. A, 2001, 942, 1-2, 283-288, https://doi.org/10.1016/S0021-9673(01)01382-6 . [all data]

Andrade, Maia, et al., 2000
Andrade, E.H.A.; Maia, J.G.S.; Zoghbi, M.G.B., Aroma volatile constituents of Brazilian varieties of mango fruit, J. Food Comp. Anal., 2000, 13, 1, 27-33, https://doi.org/10.1006/jfca.1999.0841 . [all data]

Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Son, P.T.; Giang, P.M.; Kaul, V.K., Constituents of the essential oil from the fruits of Zanthoxylum rhetsoides Drake from Vietnam and from the aerial parts of Zanthoxylum alatum Roxb. from India, Flavour Fragr. J., 1999, 14, 4, 225-229, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<225::AID-FFJ818>3.0.CO;2-1 . [all data]

Zenkevich, 1999
Zenkevich, I.G., Analytical Parameters of Components of essential Oils for their Gas Chromatographic and Chromato-Mass-Spectral Identification. Acetates of Terpene Alcohols, Rastitelnye Resursy (Plant Resources), 1999, 35, 1, 30-37. [all data]

Baratta, Dorman, et al., 1998
Baratta, M.T.; Dorman, H.J.; Deans, S.G.; Figueiredo, A.C.; Barroso, J.G.; Ruberto, G., Antimicrobial and antioxidant properties of some commercial essential oils, Flavour Fragr. J., 1998, 13, 4, 235-244, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<235::AID-FFJ733>3.0.CO;2-T . [all data]

Isidorov, Zenkevich, et al., 1997
Isidorov, V.; Zenkevich, I.; Sacharevich, T., Calculation of Gas Chromatographic Retention Indices for Monoterpenes and Terpenoids from Their Physico-Chemical Constants, Chem. Anal. (Warsaw), 1997, 42, 627-634. [all data]

Grundschober, 1991
Grundschober, F., The identification of individual components in flavourings and flavoured foods, Z. Lebensm. Unters. Forsch., 1991, 192, 6, 530-534, https://doi.org/10.1007/BF01202508 . [all data]

Shibamoto, 1987
Shibamoto, T., Retention Indices in Essential Oil Analysis in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Swigar and Silverstein, 1981
Swigar, A.A.; Silverstein, R.M., Monoterpenes, Aldrich Chemical Company, Milwaukee, WI, USA, 1981, 130. [all data]

Notes

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References

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