Butanoic acid, 3-methyl-, octyl ester
- Formula: C13H26O2
- Molecular weight: 214.3443
- IUPAC Standard InChI: InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-15-13(14)11-12(2)3/h12H,4-11H2,1-3H3
- IUPAC Standard InChIKey: FUBGRVHGQADOJI-UHFFFAOYSA-N
- CAS Registry Number: 7786-58-5
- 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: ENT 30598; Isovaleric acid, octyl ester; Octyl isovalerate; Octyl 3-methylbutanoate; Octyl isopentanoate
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- Other data available:
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Normal alkane RI, polar column, custom temperature program
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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 |
|---|---|
| Active phase | HP-Innowax FSC |
| Column length (m) | 60. |
| Carrier gas | N2 |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| I | 1654. |
| Reference | Kaya, Demirci, et al., 2003 |
| Comment | 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, Demirci, et al., 2003
Kaya, A.; Demirci, B.; Baser, K.H.C.,
The essential oil of Seseli tortuosum L. growing in Turkey,
Flavour Fragr. J., 2003, 18, 2, 159-161, https://doi.org/10.1002/ffj.1162
. [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
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