Butanoic acid, 3-methyl-, hexyl ester
- Formula: C11H22O2
- Molecular weight: 186.2912
- IUPAC Standard InChI: InChI=1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3
- IUPAC Standard InChIKey: RSDDTPVXLMVLQE-UHFFFAOYSA-N
- CAS Registry Number: 10032-13-0
- 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: n-Hexyl iso-valerate; Hexyl 3-methylbutanoate; Hexyl 3-methylbutyrate; Hexyl isopentanoate; Hexyl isovalerate; Isovaleric acid, hexyl ester; 3-Methylbutanoic acid hexyl ester; 3-Methylbutyric acid hexyl ester; n-Hexyl isopentanoate
- Information on this page:
- Other data available:
- Options:
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 | SE-54 | DB-5 |
| Column length (m) | 30. | 30. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.26 | 0.26 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. |
| Tend (C) | 246. | 246. |
| Heat rate (K/min) | 3. | 3. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 1243. | 1242. |
| Reference | Adams, 2000 | Adams, 1999 |
| 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.
Adams, 2000
Adams, R.P.,
Systematics of the one seeded Juniperus of the eastern hemisphere based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 6, 529-543, https://doi.org/10.1016/S0305-1978(99)00096-4
. [all data]
Adams, 1999
Adams, R.P.,
Systematics of multi-seeded eastern hemisphere Juniperus based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 1999, 27, 7, 709-725, https://doi.org/10.1016/S0305-1978(99)00016-2
. [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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