2-Butenoic acid, 3-methyl-, 3-methyl-2-butenyl ester
- Formula: C10H16O2
- Molecular weight: 168.2328
- IUPAC Standard InChI: InChI=1S/C10H16O2/c1-8(2)5-6-12-10(11)7-9(3)4/h5,7H,6H2,1-4H3
- IUPAC Standard InChIKey: CBERZXRMIOEKPW-UHFFFAOYSA-N
- CAS Registry Number: 72779-06-7
- 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: 3-Methylbut-2-en-1-yl 3-methylbut-2-enoate; 3-Methyl-2-butenoic acid, 3-methylbut-2-enyl ester; 3-methylbut-2-en-1-yl 2-methylbut-2-enoate; 3-methyl-2-butenyl 3-methyl-2-butenoate
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-5 | 1245. | Rodríguez-Burruezo, Kollmannsberger, et al., 2004 | 30. m/0.53 mm/1.5 μm, He, 5. K/min; Tstart: 100. C; Tend: 250. C |
| Capillary | SPB-5 | 1237. | Rodríguez-Burruezo, Kollmannsberger, et al., 2004 | 30. m/0.53 mm/1.5 μm, He, 5. K/min; Tstart: 100. C; Tend: 250. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1234.7 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
| Capillary | 5 % Phenyl methyl siloxane | 1208. | Zaikin, 2003 | Column length: 30. m; Column diameter: 0.19 mm; Program: 50 C to 120 C at 5 C/min; 120 C to 290 C at 12 C/min |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Rodríguez-Burruezo, Kollmannsberger, et al., 2004
Rodríguez-Burruezo, A.; Kollmannsberger, H.; Prohens, J.; Nitz, S.; Nuez, F.,
Analysis of the volatile aroma constituents of parental and hybrid clones of pepino (Solanum muricatum),
J. Agric. Food Chem., 2004, 52, 18, 5663-5669, https://doi.org/10.1021/jf040107w
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Zaikin, 2003
Zaikin, V.G.,
Personal Communication: Retention indices measured during the period 2001 to 2003, 2003. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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