Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (Z)-
- Formula: C14H24O2
- Molecular weight: 224.3392
- 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: 2345-24-6
- 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. - Species with the same structure:
- Other names: Neryl isobutyrate; Neryl isobutanoate; neryl 2-methylpropanoate
- Information on this page:
- Other data available:
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Kovats' 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 |
|---|---|---|
| Active phase | SPB-5 | Methyl Silicone |
| Column length (m) | 60. | 50. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.25 |
| Phase thickness (μm) | 1. | 0.25 |
| Tstart (C) | 60. | 70. |
| Tend (C) | 200. | 240. |
| Heat rate (K/min) | 4. | 4. |
| Initial hold (min) | ||
| Final hold (min) | 30. | |
| I | 1515. | 1479. |
| Reference | Gauvin, Lecomte, et al., 2004 | Palá-Paúl, Pérez-Alonso, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
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]
Palá-Paúl, Pérez-Alonso, et al., 2002
Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Sanz, J.,
Essential oil composition of Schizogyne glaberrima DC, a species endemic to the Canary Islands,
Flavour Fragr. J., 2002, 17, 1, 13-14, https://doi.org/10.1002/ffj.1043
. [all data]
Notes
Go To: Top, Kovats' 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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