Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester
- Formula: C16H24O3
- Molecular weight: 264.3600
- IUPAC Standard InChI: InChI=1S/C16H24O3/c1-15(2,3)11-8-10(14(18)19-7)9-12(13(11)17)16(4,5)6/h8-9,17H,1-7H3
- IUPAC Standard InChIKey: UPVYFJALDJUSOV-UHFFFAOYSA-N
- CAS Registry Number: 2511-22-0
- 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: Benzoic acid, 3,5-di-tert-butyl-4-hydroxy-, methyl ester; Methyl 3,5-di-tert-butyl-4-hydroxybenzoate; 3,5-Di-tert-butyl-4-hydroxybenzoic acid, methyl ester; Benzoic acid, 4-hydroxy-3,5-di-tert-butyl, methyl ester; Benzoic acid, 4-hydroxy-3,5-di-tert.-butyl, methyl ester; methyl 3,5-bis-tert-butyl-4-hydroxybenzoate
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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, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1859.3 | Tret'yakov, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 1872. | Escalona-Arranz, Perez-Roses, et al., 2010 | 30. m/0.32 mm/0.25 μm, Helium, 30. C @ 3. min, 4. K/min, 250. C @ 10. min |
| Capillary | SPB-1 | 1872. | Escalona-Arranz, Perez-Roses, et al., 2010 | 30. m/0.32 mm/0.25 μm, Helium, 30. C @ 3. min, 4. K/min, 250. C @ 10. min |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tret'yakov, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]
Escalona-Arranz, Perez-Roses, et al., 2010
Escalona-Arranz, J.C.; Perez-Roses, R.; Jimenez, I.L.; Rodriguez-Amado, J.; Argota-Coello, H.; Canizares-Lay, J.; Morris-Quevedo, H.J.; Sierra-Gonzales, G.,
Chemical constituents of Tamarindus indica L. leaves,
Rev. Cubana Quim., 2010, 22, 3, 65-71. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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