Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester
- Formula: C9H10O4
- Molecular weight: 182.1733
- IUPAC Standard InChI: InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3
- IUPAC Standard InChIKey: BVWTXUYLKBHMOX-UHFFFAOYSA-N
- CAS Registry Number: 3943-74-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Vanillic acid, methyl ester; Methyl vanillate; Methyl 3-methoxy-4-hydroxybenzoate; Methyl 4-hydroxy-3-methoxybenzoate; 4-Hydroxy-3-methoxybenzoic acid methyl ester; Methyl ester of 4-hydroxy-3-methoxybenzoic acid; Vanillic acid methyl; 4-Hydroxy-3-methoxybenzoic acid methyl ester (methyl vanillate)
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Normal alkane RI, non-polar column, custom temperature program
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 |
|---|---|---|
| Active phase | ZB-5 | CP Sil 5 CB |
| Column length (m) | 30. | 50. |
| Carrier gas | Helium | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | |
| Program | 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min) | 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C |
| I | 1518. | 1481. |
| Reference | de Simon, Estruelas, et al., 2009 | Guyot, Scheirman, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
de Simon, Estruelas, et al., 2009
de Simon, B.F.; Estruelas, E.; Munoz, A.M.; Cadahia, E.; Sanz, M.,
Volatile compounds in acacia, chestnut, cherry, ash, and oak woods, with a view to their use in cooperage,
J. Agric. Food Chem., 2009, 57, 8, 3217-3227, https://doi.org/10.1021/jf803463h
. [all data]
Guyot, Scheirman, et al., 1999
Guyot, C.; Scheirman, V.; Collin, S.,
Floral origin markers of heather honeys: Calluna vulgaris and Erica arborea,
Food Chem., 1999, 64, 1, 3-11, https://doi.org/10.1016/S0308-8146(98)00122-8
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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