2-Butenoic acid, 3-methyl-, methyl ester
- Formula: C6H10O2
- Molecular weight: 114.1424
- IUPAC Standard InChI: InChI=1S/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H3
- IUPAC Standard InChIKey: FZIBCCGGICGWBP-UHFFFAOYSA-N
- CAS Registry Number: 924-50-5
- 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. - Other names: Crotonic acid, 3-methyl-, methyl ester; Methyl β-methylcrotonate; Methyl senecioate; Methyl 3-methyl-2-butenoate; Methyl 3-methylcrotonate; Methyl 3,3-dimethacrylate; Methyl 3,3-dimethylacrylate; 3-Methylcrotonic acid methyl ester; 3-Methyl-2-butenoic acid, methyl ester; Methyl 3-methylbut-2-enoate
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Normal alkane RI, non-polar column, temperature ramp
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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 | HP-5 | HP-5 |
| Column length (m) | 30. | 30. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. |
| Tend (C) | 300. | 300. |
| Heat rate (K/min) | 5. | 5. |
| Initial hold (min) | 5. | 5. |
| Final hold (min) | 5. | 5. |
| I | 842. | 842. |
| Reference | Figuérédo, Cabassu, et al., 2006 | Figuérédo, Cabassu, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Figuérédo, Cabassu, et al., 2006
Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B.,
Studies of Mediterranean oregano populations. VIII. Chemical composition of essential oils of oreganos of various origins,
Flavour Fragr. J., 2006, 21, 1, 134-139, https://doi.org/10.1002/ffj.1543
. [all data]
Figuérédo, Cabassu, et al., 2005
Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B.,
Studies of Mediterranean oregano populations- V. Chemical composition of essential oils of oregano: Origanum syriacum L. var. bevanii (Holmes) Ietswaart, O. syriacum L. var. sinaicum (Boiss.) Ietswaart, and O. syriacum L. var. syriacum from Lebanon and Israel,
Flavour Fragr. J., 2005, 20, 164-168. [all data]
Notes
Go To: Top, Normal alkane RI, non-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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