Benzenemethanol, 4-(1-methylethyl)-, acetate
- Formula: C12H16O2
- Molecular weight: 192.2542
- IUPAC Standard InChI: InChI=1S/C12H16O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4-7,9H,8H2,1-3H3
- IUPAC Standard InChIKey: QBCRVYRADYXNOW-UHFFFAOYSA-N
- CAS Registry Number: 59230-57-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Cuminyl acetate; 4-Isopropylbenzyl acetate; Cuminic alcohol, acetate; p-Cymen-7-ol acetate; p-Isopropylbenzyl acetate; Cuminyl alcohol, acetate
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- Other data available:
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Normal alkane RI, non-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 | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | HP-5MS | SE-30 | SE-30 | Methyl Silicone |
| Column length (m) | 30. | |||
| Carrier gas | He | |||
| Substrate | ||||
| Column diameter (mm) | 0.25 | |||
| Phase thickness (μm) | 0.25 | |||
| Program | 60C => 1.5C/min => 185C(1min) => 9C/min => 275C(2min) | not specified | not specified | not specified |
| I | 1432. | 1401. | 1409. | 1409. |
| Reference | Singh, Marimuthu, et al., 2006 | Vinogradov, 2004 | Vinogradov, 2004 | Zenkevich, 1999 |
| Comment | MSDC-RI | MSDC-RI | 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.
Singh, Marimuthu, et al., 2006
Singh, G.; Marimuthu, P.; de Heluani, C.S.; Catalan, C.A.N.,
Antioxidant and biocidal activities of Carum nigrum (seed) essential oil, oleoresin, and their selected components,
J. Agric. Food Chem., 2006, 54, 1, 174-181, https://doi.org/10.1021/jf0518610
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Zenkevich, 1999
Zenkevich, I.G.,
Analytical Parameters of Components of essential Oils for their Gas Chromatographic and Chromato-Mass-Spectral Identification. Acetates of Terpene Alcohols,
Rastitelnye Resursy (Plant Resources), 1999, 35, 1, 30-37. [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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