Butanoic acid, 3-hydroxy-, methyl ester
- Formula: C5H10O3
- Molecular weight: 118.1311
- IUPAC Standard InChI: InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3
- IUPAC Standard InChIKey: LDLDJEAVRNAEBW-UHFFFAOYSA-N
- CAS Registry Number: 1487-49-6
- 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: Butyric acid, 3-hydroxy-, methyl ester; Methyl 3-hydroxybutanoate; Methyl β-hydroxybutyrate; Methyl 3-hydroxybutyrate; CH3CH(OH)CH2C(O)OCH3; β-Hydroxybutyric acid, methyl ester; (.+/-.)-3-Hydroxybuytyric acid, methyl ester
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Normal alkane RI, 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 | Capillary |
|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 60. | 60. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 30. | 30. |
| Tend (C) | 220. | 180. | 180. |
| Heat rate (K/min) | 4. | 2. | 2. |
| Initial hold (min) | 3. | 4. | 4. |
| Final hold (min) | |||
| I | 1454. | 1466. | 1467. |
| Reference | Weckerle, Bastl-Borrmann, et al., 2001 | Takeoka and Butter, 1989 | Takeoka and Butter, 1989 |
| 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.
Weckerle, Bastl-Borrmann, et al., 2001
Weckerle, B.; Bastl-Borrmann, R.; Richling, E.; Hör, K.; Ruff, C.; Schreier, P.,
Cactus pear (Opuntia ficus indica) flavour constituents - chiral evaluation (MDGC-MS) and isotope ratio (HRGC-IRMS) analysis,
Flavour Fragr. J., 2001, 16, 5, 360-363, https://doi.org/10.1002/ffj.1012
. [all data]
Takeoka and Butter, 1989
Takeoka, G.; Butter, R.G.,
Volatile constituents of pineapple (Ananas Comosus [L.] Merr.)
in Flavor Chemistry. Trends and Developments, Teranishi,R.; Buttery,R.G.; Shahidi,F., ed(s)., American Chemical Society, Washington, DC, 1989, 223-237. [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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