Benzoic acid, 2-hydroxy-, 2-methylpropyl ester
- Formula: C11H14O3
- Molecular weight: 194.2271
- IUPAC Standard InChI: InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3
- IUPAC Standard InChIKey: PTXDBYSCVQQBNF-UHFFFAOYSA-N
- CAS Registry Number: 87-19-4
- 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: Salicylic acid, isobutyl ester; Isobutyl o-hydroxybenzoate; Isobutyl salicylate; 2-Isobutoxycarbonylphenol; 2-Methylpropyl o-hydroxybenzoate; Orchindone; 2-Methylpropyl salicylate; Salicylic acid, 2-methylpropyl ester
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- Other data available:
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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 | Carbowax 20M | Supelcowax 10 |
| Column length (m) | 60. | |
| Carrier gas | Helium | |
| Substrate | ||
| Column diameter (mm) | 0.25 | |
| Phase thickness (μm) | 0.25 | |
| Program | not specified | 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min) |
| I | 1896. | 1924. |
| Reference | Vinogradov, 2004 | Castioni and Kapetanidis, 1996 |
| 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.
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Castioni and Kapetanidis, 1996
Castioni, P.; Kapetanidis, I.,
Volatile constituents from Brunfelsia grandiflora ssp. grandiflora: qualitative analysis by GC-MS,
Scientia Pharmaceutica, 1996, 64, 83-91. [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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