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
- IUPAC Standard InChIKey: UWKAYLJWKGQEPM-UHFFFAOYSA-N
- 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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Normal alkane RI, 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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP Innowax | Innowax FSC | DB-Wax | DB-Wax | DB-Wax Etr |
| Column length (m) | 30. | 60. | 15. | 15. | 60. |
| Carrier gas | Nitrogen | Helium | Helium | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
| Program | 35 0C (10 min) 3 0C/min -> 205 0C 10 0C/min -> 225 0C | 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C | 50 0C (5 min) 6 0C/min -> 125 0C 10 0C/min -> 170 0C | 50 0C (5 min) 6 0C/min -> 125 0C 10 0C/min -> 170 0C | 40C(3min) => 10C/min => 90C => 2C/min => 230C (37min) |
| I | 1556. | 1565. | 1527. | 1548. | 1565. |
| Reference | Laribi, Kouki, et al., 2011 | Baser, Demirci, et al., 2009 | Keefover-Ring, Thompson, et al., 2009 | Keefover-Ring, Thompson, et al., 2009 | Loskos, Hernandez-Orte, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax FSC | Carbowax 20M | Innowax FSC | HP-Innowax FSC | Carbowax |
| Column length (m) | 60. | 60. | 60. | ||
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C | not specified |
| I | 1565. | 1538. | 1565. | 1565. | 1537. |
| Reference | Demirci, Paper, et al., 2004 | Vinogradov, 2004 | Baser, Demirci, et al., 2003 | Demirci, Baser, et al., 2003 | Edris, Shalaby, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax | Supelcowax-10 | HP-Innowax FSC | Innowax FSC | FFAP |
| Column length (m) | 60. | 60. | 60. | 60. | 50. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.33 |
| Program | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C | 40C (7min) => 4C/min => 150C => 8C/min => 240C (10min) | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(1min) => 2.5C/min => 115C => 1C/min => 210C(30min) |
| I | 1565. | 1566. | 1565. | 1565. | 1554. |
| Reference | Baser, Demirci, et al., 2002 | Kim and Lee, 2002 | Kaya, Demirci, et al., 2001 | Tabanca N., Demirci F., et al., 2001 | Tucker, Maciarello, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Innowax FSC | HP-Innowax FSC | FFAP | PEG | Polyethylene Glycol |
| Column length (m) | 60. | 60. | 25. | 40. | |
| Carrier gas | He | He | H2 | Hydrogen | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.182 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 0.30 | |
| Program | 60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 40C(5min) => 4C/min => 170C => 8C/min => 240C (12min) | 35 0C (5 min) 5 0C/min -> 100 0C 3 0C/min -> 200 0C (1 min) 20 0C/min -> 240 0C (2 min) | not specified |
| I | 1565. | 1565. | 1555. | 1563. | 1557. |
| Reference | Kirimer, Tabanca, et al., 2000 | Bagci, Baser, et al., 1999 | Reddy, Angers, et al., 1998 | Vas, Gal, et al., 1998 | Grundschober, 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | CP-Wax 52CB | Carbowax 20M |
| Column length (m) | 50. | |
| Carrier gas | ||
| Substrate | ||
| Column diameter (mm) | 0.32 | |
| Phase thickness (μm) | ||
| Program | not specified | not specified |
| I | 1550. | 1538. |
| Reference | Vernin, 1991 | Shibamoto, 1987 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
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]
Baser, Demirci, et al., 2009
Baser, K.H.C.; Demirci, B.; Kurkcuoglu, M.; Satin, F.; Tumen, G.,
Comparative morphological and phytochemical charactertization of Salvia cadmica and S. smyrnaea,
Pak. J. Bot., 2009, 41, 4, 1545-1555. [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]
Loskos, Hernandez-Orte, et al., 2007
Loskos, N.; Hernandez-Orte, P.; Cacho, J.; Ferreira, V.,
Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions,
J. Agric. Food Chem., 2007, 55, 16, 6674-6684, https://doi.org/10.1021/jf0702343
. [all data]
Demirci, Paper, et al., 2004
Demirci, F.; Paper, D.H.; Franz, G.; Hüsnü Can Baser, K.,
Investigation of the origanum onites L. essential oil using the Chorioallantoic Membrane (CAM) assay,
J. Agric. Food Chem., 2004, 52, 2, 251-254, https://doi.org/10.1021/jf034850k
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Baser, Demirci, et al., 2003
Baser, K.H.C.; Demirci, B.; Dekebo, A.; Dagne, E.,
Essential oils of some Boswellia spp., myrrh and opopanax,
Flavour Fragr. J., 2003, 18, 2, 153-156, https://doi.org/10.1002/ffj.1166
. [all data]
Demirci, Baser, et al., 2003
Demirci, B.; Baser, K.H.C.; Yildiz, B.; Bahcecioglu, Z.,
Composition of the essential oils of six endemic Salvia spp. from Turkey,
Flavour Fragr. J., 2003, 18, 2, 116-121, https://doi.org/10.1002/ffj.1173
. [all data]
Edris, Shalaby, et al., 2003
Edris, A.E.; Shalaby, A.; Fadel, H.M.,
Effect of organic agriculture practices on the volatile aroma components of some essential oil plants growing in Egypt II: sweet Marjoram (Origanum marjorana L.) essential oil,
Flavour Fragr. J., 2003, 18, 4, 345-351, https://doi.org/10.1002/ffj.1235
. [all data]
Baser, Demirci, et al., 2002
Baser, K.H.C.; Demirci, B.; Kirimer, N.; Satil, F.; Tumen, G.,
The essential oils of Thymus migricus and T. fedtschenkoi var. handelii from Turkey,
Flavour Fragr. J., 2002, 17, 1, 41-45, https://doi.org/10.1002/ffj.1036
. [all data]
Kim and Lee, 2002
Kim, N.-S.; Lee, D.-S.,
Comparison of different extraction methods for the analysis of fragrances from Lavandula species by gas chromatography-mass spectrometry,
J. Chromatogr. A, 2002, 982, 1, 31-47, https://doi.org/10.1016/S0021-9673(02)01445-0
. [all data]
Kaya, Demirci, et al., 2001
Kaya, A.; Demirci, B.; Baser, K.H.C.,
The composition of the essential oil of Stachys iberica subsp. stenostachya growing in Turkey,
Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 4, 326-328, https://doi.org/10.1023/A:1013762200024
. [all data]
Tabanca N., Demirci F., et al., 2001
Tabanca N.; Demirci F.; Ozek T.; Tumen G.; Baser K.H.C.,
Composition and antimicrobial activity of the essential oil of Origanum x dolichosiphon P. H. Davis,
Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 3, 238-241, https://doi.org/10.1023/A:1012513922871
. [all data]
Tucker, Maciarello, et al., 2001
Tucker, A.O.; Maciarello, M.J.; Alkire, B.H.,
Essential oil of Aeollanthus suaveolens Mart. ex Spreng. (Lamiaceae),
J. Essent. Oil Res., 2001, 13, 3, 198-199, https://doi.org/10.1080/10412905.2001.9699662
. [all data]
Kirimer, Tabanca, et al., 2000
Kirimer, N.; Tabanca, N.; Özek, T.; Tümen, G.; Baser, K.H.C.,
Essential oils of annual Sideritis species growing in Turkey,
Pharm. Biol., 2000, 38, 2, 106-111, https://doi.org/10.1076/1388-0209(200004)3821-1FT106
. [all data]
Bagci, Baser, et al., 1999
Bagci, E.; Baser, K.H.C.; Kürkcüoglu, M.; Babac, T.; Celik, S.,
Study of the essential oil composition of two subspecies of Abies cilicica (Ant. et Kotschy) Carr. from Turkey,
Flavour Fragr. J., 1999, 14, 1, 47-49, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<47::AID-FFJ782>3.0.CO;2-R
. [all data]
Reddy, Angers, et al., 1998
Reddy, M.V.B.; Angers, P.; Gosselin, A.; Arul, J.,
Characterization and use of essential oil from Thymus vulgaris against Botrytis cinerea and Rhizopus stolonifer in strawberry fruits,
Phytochemistry, 1998, 47, 8, 1515-1520, https://doi.org/10.1016/S0031-9422(97)00795-4
. [all data]
Vas, Gal, et al., 1998
Vas, G.; Gal, L.; Harangi, J.; Dobo, A.; Vekey, K.,
Determination of volatile aroma compounds of Blaeufrankisch wines extracted by solid-phase microextraction,
J. Chromatogr. Sci., 1998, 36, 10, 505-510, https://doi.org/10.1093/chromsci/36.10.505
. [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]
Vernin, 1991
Vernin, G.,
Volatile constituents of the essential oil of Santolina chamaecyparissus L.,
J. Essent. Oil Res., 1991, 3, 1, 49-53, https://doi.org/10.1080/10412905.1991.9697907
. [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]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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