Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
- Formula: C14H24O
- Molecular weight: 208.3398
- IUPAC Standard InChI: InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+
- IUPAC Standard InChIKey: ZSBOMYJPSRFZAL-JLHYYAGUSA-N
- CAS Registry Number: 106-29-6
- 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. - Stereoisomers:
- Other names: Butyric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-; Geraniol butyrate; Geranyl butyrate; Geranyl butanoate; Geranyl n-butyrate; n-Butyric acid, geranyl ester; (E)-3,7-dimethylocta-2,6-dien-1-yl butyrate; (2E)-3,7-Dimethyl-2,6-octadienyl butyrate
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Kovats' RI, polar column, temperature ramp
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-Wax | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M |
| Column length (m) | 50. | 25. | 50. | 100. | 100. |
| Carrier gas | He | N2 | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.3 | 0.28 | 0.28 |
| Phase thickness (μm) | 0.4 | ||||
| Tstart (C) | 60. | 60. | 70. | 80. | 80. |
| Tend (C) | 230. | 200. | 210. | 200. | 200. |
| Heat rate (K/min) | 4. | 5. | 2. | 3. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | 30. | ||||
| I | 1906. | 1907. | 1889. | 1833. | 1836. |
| Reference | Gauvin, Lecomte, et al., 2004 | Kulkarni, Mallavarapu, et al., 1998 | Randriamiharisoa and Gaydou, 1987 | Bernhard, Shibamoto, et al., 1983 | Bernhard, Shibamoto, et al., 1983 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gauvin, Lecomte, et al., 2004
Gauvin, A.; Lecomte, H.; Smadja, J.,
Comparative investigations of the essential oils of two scented geranium (Pelargonium spp.) cultivars grown on Reunion Island,
Flavour Fragr. J., 2004, 19, 5, 455-460, https://doi.org/10.1002/ffj.1354
. [all data]
Kulkarni, Mallavarapu, et al., 1998
Kulkarni, R.N.; Mallavarapu, G.R.; Baskaran, K.; Ramesch, S.; Kumar, S.,
Composition of the essential oils of two isomenthone-rich variants of geranium (Pelargonium sp.),
Flavour Fragr. J., 1998, 13, 6, 389-392, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<389::AID-FFJ757>3.0.CO;2-2
. [all data]
Randriamiharisoa and Gaydou, 1987
Randriamiharisoa, R.P.; Gaydou, E.M.,
Composition of Palmarosa (Cymbopogon martinii) essential oil from Madagascar,
J. Agric. Food Chem., 1987, 35, 1, 62-66, https://doi.org/10.1021/jf00073a015
. [all data]
Bernhard, Shibamoto, et al., 1983
Bernhard, R.A.; Shibamoto, T.; Yamaguchi, K.; White, E.,
The volatile constituents of Schinus molle L.,
J. Agric. Food Chem., 1983, 31, 2, 463-466, https://doi.org/10.1021/jf00116a075
. [all data]
Notes
Go To: Top, Kovats' RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - 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.