Butanoic acid, 1-methylbutyl ester
- Formula: C9H18O2
- Molecular weight: 158.2380
- IUPAC Standard InChI: InChI=1S/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3
- IUPAC Standard InChIKey: DJOCFLQKCMWABC-UHFFFAOYSA-N
- CAS Registry Number: 60415-61-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Butyric acid, sec-pentyl ester; sec-Amyl butyrate; UN 2620; Butanoic acid, 2-pentyl ester; 1-Methylbutyl butanoate; 2-Pentyl butanoate; 1-Methylbutyl butyrate; isopentyl butyrate
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Normal alkane 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
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | CP-Wax CB | DB-Wax | DB-Wax |
| Column length (m) | 30. | 60. | 60. |
| Carrier gas | Helium | H2 | H2 |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 40. | 60. |
| Tend (C) | 150. | 230. | 220. |
| Heat rate (K/min) | 2. | 4. | 3. |
| Initial hold (min) | 5. | ||
| Final hold (min) | 5. | 25. | |
| I | 1214. | 1216. | 1217. |
| Reference | Alves, da Penha, et al., 2012 | Strohalm, Dregus, et al., 2007 | Werkhoff, Güntert, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Alves, da Penha, et al., 2012
Alves, V.C.C.; da Penha, M.F.A.; Pinto, N. deO.F.; Garruti, D. dosS.,
Volatile compounds profile of Musa FHIA 02: an option to counter losses by Black Sigatoka,
Nat. Prod. J., 2012, 5, 55-60. [all data]
Strohalm, Dregus, et al., 2007
Strohalm, H.; Dregus, M.; Wahl, A.; Engel, K.-H.,
Enantioselective analysis of secondary alcohols and their esters in purple and yellow passion fruits,
J. Agric. Food Chem., 2007, 55, 25, 10339-10344, https://doi.org/10.1021/jf072464n
. [all data]
Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J.,
Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits,
J. Agric. Food Chem., 1998, 46, 3, 1076-1093, https://doi.org/10.1021/jf970655s
. [all data]
Notes
Go To: Top, Normal alkane 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
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