3-Hexen-1-ol, acetate, (Z)-
- Formula: C8H14O2
- Molecular weight: 142.1956
- IUPAC Standard InChIKey: NPFVOOAXDOBMCE-PLNGDYQASA-N
- CAS Registry Number: 3681-71-8
- 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. - Isotopologues:
- Stereoisomers:
- Other names: cis-3-Hexenyl Acetate; cis-3-Hexenyl-1-acetate; Acetic acid cis-3-hexenyl ester; 3-Hexenol acetate, cis; 3(Z)-Hexenyl acetate; cis-3-Hexen-1-ol, acetate; cis-Hex-3-enyl acetate; Hex-3(Z)-enyl acetate; (Z)-3-Hexen-1-ol acetate; (Z)-3-Hexen-1-yl, acetate; (Z)-3-Hexenol acetate; (Z)-3-Hexenyl acetate; Z-Hex-3-en-1-yl acetate; (Z)-Hex-3-enyl acetate; (3Z)-3-Hexenyl 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 | DB-FFAP | Innowax FSC | Carbowax 20M | Supelcowax-10 | HP-Innowax |
Column length (m) | 30. | 60. | 30. | 30. | 60. |
Carrier gas | He | Nitrogen | He | He | Nitrogen |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 40C(1min) => 7C/min => 180C => 10C/min => 240C (10min) | 60 0C (10 min) 1 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C | 60C(5min) => 3C/min => 180C => 20C/min => 280C(10min) | 40C(3min) => 4C/min => 75C => 8C/min => 250C(5min) | 50 0C (4 min) -> 40 0C 4 0C/min -> 220 0C |
I | 1312. | 1327. | 1323. | 1326. | 1335. |
Reference | Greger and Schieberle, 2007 | Kaya, Benirci, et al., 2007 | Merle, Verdeguer, et al., 2007 | Vichi, Guadayol, et al., 2007 | Quijano and Pino, 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-FFAP | HP-Innowax | Carbowax 20M | CP-Wax 52CB | Innowax FSC |
Column length (m) | 30. | 60. | 50. | 60. | |
Carrier gas | N2 | H2 | Hydrogen | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | |
Program | 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min=230C(10min) | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 25C(7min) => 0.8C/min => 33C => 2.4C/min => 80C => 3.7C/min => 155C (20min) | not specified | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
I | 1328. | 1327. | 1317. | 1290. | 1327. |
Reference | Buettner and Mestres, 2005 | Demirci, Demirci, et al., 2005 | Dhifi, Angerosa, et al., 2005 | Jales, Maia, et al., 2005 | Baser, Özek, et al., 2004 |
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 | FFAP | DB-Wax |
Column length (m) | 60. | 60. | 50. | 60. | |
Carrier gas | He | He | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 0.25 | |
Program | 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C | not specified | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(1min) => 2.5C/min => 115C => 1C/min => 210C(30min) | not specified |
I | 1327. | 1300. | 1327. | 1279. | 1295. |
Reference | Demirci and Baser, 2004 | Vinogradov, 2004 | Saglam, Gozler, et al., 2001 | Tucker, Maciarello, et al., 2001 | Paniandy, Chane-Ming, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | CP-Wax 52CB | FFAP | DB-Wax | DB-Wax |
Column length (m) | 60. | 50. | 25. | 60. | 60. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.53 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 1. | 0.2 | 0.3 | ||
Program | 40C (2min) => 16C/min => 120C => 15C/min => 240C(3min) | 30C (1.5min) => 3C/min => 120C => 10C/min => 220C (3.5min) | 35C (2min) => 40C/min => 60C(1min) => 6C/min => 230C | not specified | not specified |
I | 1329. | 1312. | 1316. | 1315. | 1315. |
Reference | Forney and Jordan, 1998 | Jakobsen, Hansen, et al., 1998 | Reiners and Grosch, 1998 | Binder, Flath, et al., 1989 | Binder and Flath, 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | Polyethylene Glycol |
Column length (m) | |
Carrier gas | |
Substrate | |
Column diameter (mm) | |
Phase thickness (μm) | |
Program | not specified |
I | 1300. |
Reference | MacLeod and Pieris, 1981 |
Comment | 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.
Greger and Schieberle, 2007
Greger, V.; Schieberle, P.,
Characterization of the Key Aroma Compounds in Apricots (Prunus armeniaca) by Application of the Molecular Sensory Science Concept,
J. Agric. Food Chem., 2007, 55, 13, 5221-5228, https://doi.org/10.1021/jf0705015
. [all data]
Kaya, Benirci, et al., 2007
Kaya, A.; Benirci, B.; Baser, K.H.C.,
Micromorphology of glandular trichomes of Nepeta congesta Fisch. Mey. var. congesta (LAmiaceae) and chemical analysis of the essential oils,
South African J. Botany, 2007, 73, 1, 29-34, https://doi.org/10.1016/j.sajb.2006.05.004
. [all data]
Merle, Verdeguer, et al., 2007
Merle, H.; Verdeguer, M.; Blázquez, M.A.; Boira, H.,
Chemical composition of the essential oils from Eriocephalus africanus L. var. africanus populations growing in Spain,
Flavour Fragr. J., 2007, 22, 6, 461-464, https://doi.org/10.1002/ffj.1821
. [all data]
Vichi, Guadayol, et al., 2007
Vichi, S.; Guadayol, J.M.; Caixach, J.; López-Tamames, E.; Buxaderas, S.,
Analytical, Nutritional, and Clinical Methods. Comparative study of different extraction techniques for the analysis of virgin olive oil aroma,
Food Chem., 2007, 105, 3, 1171-1178, https://doi.org/10.1016/j.foodchem.2007.02.018
. [all data]
Quijano and Pino, 2006
Quijano, C.E.; Pino, J.A.,
Changes in volatile constituents during the ripening of cocona (Solanum sessiliflorum Dunal) fruit,
Revista CENIC Ciencias Quimicas, 2006, 37, 3, 133-136. [all data]
Buettner and Mestres, 2005
Buettner, A.; Mestres, M.,
Investigation of the retronasal perception of strawberry aroma aftersmell depending on matrix composition,
J. Agric. Food Chem., 2005, 53, 5, 1661-1669, https://doi.org/10.1021/jf048502+
. [all data]
Demirci, Demirci, et al., 2005
Demirci, B.; Demirci, F.; Baser, K.H.C.,
Headspace-SPME and hydrodistillation of two fragrant Artemisia sp.,
Flavour Fragr. J., 2005, 20, 4, 395-398, https://doi.org/10.1002/ffj.1426
. [all data]
Dhifi, Angerosa, et al., 2005
Dhifi, W.; Angerosa, F.; Serraiocco, A.; Oumar, I.; Hamrouni, I.; Marzouk, B.,
Virgin olive oil aroma: Characterization of some Tunisian cultivars,
Food Chem., 2005, 93, 4, 697-701, https://doi.org/10.1016/j.foodchem.2004.12.036
. [all data]
Jales, Maia, et al., 2005
Jales, K.A.; Maia, G.A.; Garruti, D.S.; Neto, M.A.S.; Janzantti, N.S.; Franco, M.R.B.,
Evaluation de los compuestos odoriferos del jugo de maracuya amarillo por GC-MS y GC-O (OSME),
Alimentis y bebidas, 2005, 3, 12-14. [all data]
Baser, Özek, et al., 2004
Baser, K.H.C.; Özek, T.; Kirimer, N.; Deliorman, D.; Ergun, F.,
Composition of the essential oils of Galium aparine L. and Galium odoratum (L.) Scop. from Turkey,
J. Essent. Oil Res., 2004, 16, 4, 305-307, https://doi.org/10.1080/10412905.2004.9698728
. [all data]
Demirci and Baser, 2004
Demirci, F.; Baser, K.H.C.,
The volatiles of fresh-cut Osyris alba L. flowers,
Flavour Fragr. J., 2004, 19, 1, 72-73, https://doi.org/10.1002/ffj.1299
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Saglam, Gozler, et al., 2001
Saglam, H.; Gozler, T.; Kivcak, B.; Demirci, B.; Baser, K.H.C.,
Volatile compounds from Haplophyllum myrtifolium,
Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 5, 442-444, https://doi.org/10.1023/A:1014467225815
. [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]
Paniandy, Chane-Ming, et al., 2000
Paniandy, J.-C.; Chane-Ming, J.; Pierbattesti, J.-C.,
Chemical Composition of the Essential Oil and Headspace Solid-Phase Microextraction of the Guava Fruit (Psidium guajava L.),
J. Essent. Oil Res., 2000, 12, 153-158. [all data]
Forney and Jordan, 1998
Forney, C.F.; Jordan, M.A.,
Induction of volatile compounds in broccoli by postharvest hot-water dips,
J. Agric. Food Chem., 1998, 46, 12, 5295-5301, https://doi.org/10.1021/jf980443a
. [all data]
Jakobsen, Hansen, et al., 1998
Jakobsen, H.B.; Hansen, M.; Christensen, M.R.; Brockhoff, P.B.; Olsen, C.E.,
Aroma volatiles of blanched green peas (Pisum sativum L.),
J. Agric. Food Chem., 1998, 46, 9, 3727-3734, https://doi.org/10.1021/jf980026y
. [all data]
Reiners and Grosch, 1998
Reiners, J.; Grosch, W.,
Odorants of virgin olive oils with different flavor profiles,
J. Agric. Food Chem., 1998, 46, 7, 2754-2763, https://doi.org/10.1021/jf970940b
. [all data]
Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R.,
Volatile components of bittermelon,
J. Agric. Food Chem., 1989, 37, 2, 418-420, https://doi.org/10.1021/jf00086a032
. [all data]
Binder and Flath, 1989
Binder, R.G.; Flath, R.A.,
Volatile components of pineapple guava,
J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034
. [all data]
MacLeod and Pieris, 1981
MacLeod, A.J.; Pieris, N.M.,
Volatile flavor components of beli fruit (Aegle marmelos) and a processed product,
J. Agric. Food Chem., 1981, 29, 6, 1262-1264, https://doi.org/10.1021/jf00108a040
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
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