cis-3-Hexenyl isovalerate
- Formula: C11H20O2
- Molecular weight: 184.2753
- IUPAC Standard InChI: InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-
- IUPAC Standard InChIKey: AIQLNKITFBJPFO-WAYWQWQTSA-N
- CAS Registry Number: 35154-45-1
- 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: Isovaleric acid cis-3-hexenyl ester; Butanoic acid, 3-methyl-, 3-hexenyl ester, (Z)-; Isovaleric acid, 3-hexenyl ester, (Z)-; AI3-35966; cis-3-Hexenyl 3-methylbutanoate; (3Z)-3-Hexenyl 3-methylbutanoate; (Z)-3-Hexenyl 3-methylbutanoate; (Z)-3-Hexenyl isopentanoate; (Z)-3-Hexenyl isovalerate; (Z)-Hex-3-en-1-yl 3-methylbutanoate; (Z)-hex-3-enyl isovalerate
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
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 |
|---|---|---|---|
| Active phase | Innowax FSC | Carbowax 20M | HP-Innowax |
| Column length (m) | 60. | 60. | |
| Carrier gas | Nitrogen | He | |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | |
| Program | 60 0C (10 min) 1 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C | not specified | 60 0C (10 min) 10 K/min -> 220 0C (10 min) 1K/min -> 240 0C |
| I | 1494. | 1480. | 1494. |
| Reference | Kaya, Benirci, et al., 2007 | Vinogradov, 2004 | Baser, Demirci, et al., 2001 |
| Comment | MSDC-RI | 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.
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]
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., 2001
Baser, K.H.C.; Demirci, B.; Tabanca, N.; Özek, T.; Gören, N.,
Composition of the essential oils of Tanacetum armenum (DC.) Schultz Bip., T. balsamita L., T. chiliophyllum (Fisch. Mey.) Schultz Bip. var. chiliophyllum and T. haradjani (Rech. fil.) Grierson and the enantiomeric distribution of camphor and carvone,
Flavour Fragr. J., 2001, 16, 3, 195-200, https://doi.org/10.1002/ffj.977
. [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
- 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.