Butanoic acid, 3-methyl-, 3-methylbutyl ester
- Formula: C10H20O2
- Molecular weight: 172.2646
- IUPAC Standard InChI: InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3
- IUPAC Standard InChIKey: XINCECQTMHSORG-UHFFFAOYSA-N
- CAS Registry Number: 659-70-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Isovaleric acid, isopentyl ester; iso-Amyl isovalerate; Apple oil; Isoamyl valerianate; Isopentyl isovalerate; Isopentyl 3-methylbutyrate; Solusterol; 3-Methylbutyl 3-methylbutyrate; Apple essence; 3-methylbutyl 3-methylbutanoate; Isopentyl isopentanoate; 3-Methylbutyl isovalerate; Isoamyl 3-methylbutanoate; Isoamyl 3-methylbutyrate; Isopentyl alcohol, isovalerate; NSC 6565; Isovaleric acid, 3-methylbutyl ester; Isopentyl 3-methylbutanoate
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Kovats' RI, non-polar column, isothermal
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 | Packed | Packed |
|---|---|---|---|
| Active phase | SE-30 | SE-30 | SE-30 |
| Column length (m) | 40. | 3.7 | 3.7 |
| Carrier gas | |||
| Substrate | Celaton (62-72 mesh) | Celite 560 | |
| Column diameter (mm) | 0.35 | ||
| Phase thickness (μm) | 0.35 | ||
| Temperature (C) | 100. | 150. | 150. |
| I | 1090.7 | 1081. | 1088. |
| Reference | Tudor, 1997 | Ashes and Haken, 1974 | Germaine and Haken, 1969 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, isothermal, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tudor, 1997
Tudor, E.,
Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations,
J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6
. [all data]
Ashes and Haken, 1974
Ashes, J.R.; Haken, J.K.,
Gas chromatography of homologous esters. VI. Structure-retention increments of aliphatic esters,
J. Chromatogr., 1974, 101, 1, 103-123, https://doi.org/10.1016/S0021-9673(01)94737-5
. [all data]
Germaine and Haken, 1969
Germaine, R.W.; Haken, J.K.,
Gas chromatography of homologous esters. Part 1. Simple aliphatic esters,
J. Chromatogr., 1969, 43, 33-42, https://doi.org/10.1016/S0021-9673(00)99162-3
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, isothermal, References
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