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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Normal alkane RI, non-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 | DB-1 | HP-5MS | DB-1 | DB-5 | BP-1 |
| Column length (m) | 60. | 30. | 30. | 60. | 25. |
| Carrier gas | Nitrogen | He | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.50 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 50. | 60. | 40. | 60. |
| Tend (C) | 250. | 250. | 230. | 280. | 220. |
| Heat rate (K/min) | 5. | 2. | 3. | 4. | 5. |
| Initial hold (min) | 3. | 4. | |||
| Final hold (min) | 10. | 10. | |||
| I | 1514. | 1514. | 1493. | 1514. | 1491. |
| Reference | Sonboli, Kanani, et al., 2007 | Farah, Afifi, et al., 2006 | Tohar, Mohd, et al., 2006 | Kalvandi, Sefidkon, et al., 2004 | Rajeswara, Kaul, et al., 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Sonboli, Kanani, et al., 2007
Sonboli, A.; Kanani, M.R.; Yousefzadi, M.; Mojarrad, M.,
Biological activity and composition of the essential oil of Tetrataenium nephrophyllum (Apiaceae) from Iran,
Natural Product Communications, 2007, 2, 12, 1249-1252. [all data]
Farah, Afifi, et al., 2006
Farah, A.; Afifi, A.; Fechtal, M.; Chhen, A.; Satrani, B.; Talbi, M.; Chaouch, A.,
Fractional distillation effect on the chemical composition of Moroccan myrtle (Myrtus communis L.) essential oils,
Flavour Fragr. J., 2006, 21, 2, 351-354, https://doi.org/10.1002/ffj.1651
. [all data]
Tohar, Mohd, et al., 2006
Tohar, N.; Mohd, M.A.; Jantan, I.; Awang, K.,
A comparative study of the essential oils of the genus Plumeria Linn. from Malaysia,
Flavour Fragr. J., 2006, 21, 6, 859-863, https://doi.org/10.1002/ffj.1617
. [all data]
Kalvandi, Sefidkon, et al., 2004
Kalvandi, R.; Sefidkon, F.; Atri, M.; Mirza, M.,
Analysis of the essential oil of Thymus eriocalyx from Iran,
Flavour Fragr. J., 2004, 19, 4, 341-343, https://doi.org/10.1002/ffj.1312
. [all data]
Rajeswara, Kaul, et al., 1996
Rajeswara, B.R.; Kaul, P.N.; Bhattacharya, A.K.; Mallavarapu, G.R.; Ramesh, S.,
Yield and chemical composition of the essential oils of three Cymbopogon species suffering from iron chlorosis,
Flavour Fragr. J., 1996, 11, 5, 289-293, https://doi.org/10.1002/(SICI)1099-1026(199609)11:5<289::AID-FFJ590>3.0.CO;2-7
. [all data]
Notes
Go To: Top, Normal alkane RI, non-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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