Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-
- Formula: C14H24O
- Molecular weight: 208.3398
- IUPAC Standard InChI: InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9-
- IUPAC Standard InChIKey: OGJYXQFXLSCKTP-LCYFTJDESA-N
- CAS Registry Number: 2345-26-8
- 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. - Species with the same structure:
- Other names: Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-; Geranyl isobutyrate; Isobutyric acid, (E)-3,7-dimethyl-2,6-octadienyl ester; 3,7-Dimethyl-2,6-octadienyl isobutyrate; Propionic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester,; trans-3-7-Dimethyl-2,6-octadienyl isobutyrate; Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, trans-; 2,6-Octadien-1-ol, 3,7-dimethyl-, isobutyrate, trans-; Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester,; 3,7-Dimethyl-2,6-octadienyl isobutyrate, (E)-; Propionic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, trans-; Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, trans-; Geranyl 2-methylpropanoate; Geranyl isobutanoate; Geraniol isobutyrate; Propanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester; Propanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester; (E)-3,7-Dimethylocta-2,6-dien-1-yl isobutyrate; (2E)-3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate; Neryl iso-butyrate
- Information on this page:
- Other data available:
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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 |
|---|---|---|
| Active phase | Supelcowax | Carbowax 20M |
| Column length (m) | 30. | 25. |
| Carrier gas | N2 | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.5 |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 60. | 60. |
| Tend (C) | 240. | 200. |
| Heat rate (K/min) | 3. | 5. |
| Initial hold (min) | 5. | |
| Final hold (min) | 10. | |
| I | 1860. | 1788. |
| Reference | Riu-Aumatell, Castellari, et al., 2004 | Mallavarapu, Rao, et al., 1998 |
| Comment | 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.
Riu-Aumatell, Castellari, et al., 2004
Riu-Aumatell, M.; Castellari, M.; López-Tamames, E.; Galassi, S.; Buxaderas, S.,
Characterisation of volatile compounds of fruit juices and nectars by HS/SPME and GC/MS,
Food Chem., 2004, 87, 4, 627-637, https://doi.org/10.1016/j.foodchem.2003.12.033
. [all data]
Mallavarapu, Rao, et al., 1998
Mallavarapu, G.R.; Rao, B.R.R.; Kaul, P.N.; Ramesh, S.; Bhattacharya, A.K.,
Volatile constituents of the essential oils of the seeds and the herb of palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.),
Flavour Fragr. J., 1998, 13, 3, 167-169, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<167::AID-FFJ719>3.0.CO;2-B
. [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
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