2-Butenoic acid, 2-methyl-
- Formula: C5H8O2
- Molecular weight: 100.1158
- IUPAC Standard InChI: InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)
- IUPAC Standard InChIKey: UIERETOOQGIECD-UHFFFAOYSA-N
- CAS Registry Number: 13201-46-2
- 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. - Stereoisomers:
- Other names: Crotonic acid, 2-methyl-; 2-Methyl-2-butenoic acid; CH3CH=C(CH3)COOH; α-Methylcrotonic acid; 2-Methylcrotonic acid
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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 | Capillary |
|---|---|---|
| Active phase | Innowax FSC | HP-Innowax FSC |
| Column length (m) | 60. | 60. |
| Carrier gas | Helium | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Program | 60 0C (10 min) 4 0C/min -> 220 0C 1 0C/min -> 240 0C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| I | 1808. | 1808. |
| Reference | Bardakci, Demirci, et al., 2012 | Viljoen, Subramoney, et al., 2005 |
| Comment | MSDC-RI | 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.
Bardakci, Demirci, et al., 2012
Bardakci, H.; Demirci, B.; Yesilada, E.; Kirmizibekmez, H.; Naser, K.H.C.,
Chemical composition of the essential oil of the subterranean parts of Valeriana alliariifolia,
Rec. Nat. Prod., 2012, 6, 1, 89-92. [all data]
Viljoen, Subramoney, et al., 2005
Viljoen, A.M.; Subramoney, S.; van Vuuren, S.F.; Baser, K.H.C.; Demirci, B.,
The composition, geographical variation and antimicrobial activity of Lippia javanica (Verbenaceae) leaf essential oils,
J. Ethnopharmacol., 2005, 96, 1-2, 271-277, https://doi.org/10.1016/j.jep.2004.09.017
. [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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