Butanoic acid, 3-methyl-, 3-methylbutyl ester
- Formula: C10H20O2
- Molecular weight: 172.2646
- IUPAC Standard InChI:
- Download the identifier in a file.
- 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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Kovats' RI, 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
|Active phase||Carbowax 20M||Carbowax 20M||Carbowax 20M|
|Column length (m)||50.||50.||50.|
|Column diameter (mm)||0.28||0.28||0.28|
|Phase thickness (m)|
|Heat rate (K/min)||2.||2.||2.|
|Initial hold (min)|
|Final hold (min)|
|Reference||Toda, Yamaguchi, et al., 1982||Toda, Yamaguchi, et al., 1982||Tressl, Friese, et al., 1978|
Go To: Top, Kovats' RI, polar column, temperature ramp, Notes
Toda, Yamaguchi, et al., 1982
Toda, H.; Yamaguchi, K.; Shibamoto, T., Isolation and identification of banana-like aroma from banana shrub (Michellia figo Spreng), J. Agric. Food Chem., 1982, 30, 1, 81-84, https://doi.org/10.1021/jf00109a017 . [all data]
Tressl, Friese, et al., 1978
Tressl, R.; Friese, L.; Fendesack, F.; Köppler, H., Gas chromatographic--mass spectrometric investigation of hop aroma constituents in beer, J. Agric. Food Chem., 1978, 26, 6, 1422-1426, https://doi.org/10.1021/jf60220a037 . [all data]
Go To: Top, Kovats' RI, 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.