Hexanoic acid, 3-hexenyl ester, (Z)-
- Formula: C12H22O2
- Molecular weight: 198.3019
- IUPAC Standard InChIKey: RGACQXBDYBCJCY-ALCCZGGFSA-N
- CAS Registry Number: 31501-11-8
- 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 hexanoate; cis-Hexanoic acid, 3-hexenyl ester; cis-3-Hexenyl caproate; cis-3-Hexenyl hexoate; n-Caproic acid cis-3-hexenyl ester; cis-3-Hexenyl n-hexanoate; (3Z)-3-Hexenyl hexanoate; 3-Hexen-1-ol hexanoate, cis; 3-Hexen-1-ol, hexanoate, (Z)-; 3-Hexenyl hexanoate, (Z)-; (Z)-3-Hexen-1-ol, hexanoate; (Z)-3-Hexenyl hexanoate; Hexanoic acid, (3Z)-3-hexen-1-yl ester; Hexanoic acid, (3Z)-3-hexenyl ester; (Z)-hex-3-enyl hexanoate
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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 FSC | HP-Innowax FSC | Carbowax 20M | HP-Innowax FSC | DB-Wax |
Column length (m) | 60. | 60. | 60. | 60. | |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified |
I | 1662. | 1662. | 1654. | 1662. | 1647. |
Reference | Demirci and Baser, 2004 | Kivcak, Akay, et al., 2004 | Vinogradov, 2004 | Demirci, Demirci, et al., 2003 | 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 | 1647. |
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.
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]
Kivcak, Akay, et al., 2004
Kivcak, B.; Akay, S.; Demirci, B.; Baser, K.H.C.,
Chemical composition of essential oils from leaves and twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey,
Pharm. Biol, 2004, 42, 4-5, 360-366, https://doi.org/10.1080/13880200490519677
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Demirci, Demirci, et al., 2003
Demirci, B.; Demirci, F.; Baser, K.H.C.,
Composition of the essential oil of Cotinus coggygria Scop. from Turkey,
Flavour Fragr. J., 2003, 18, 1, 43-44, https://doi.org/10.1002/ffj.1149
. [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
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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