Phenol, 2-methyl-5-(1-methylethyl)-, acetate
- Formula: C12H16O2
- Molecular weight: 192.2542
- IUPAC Standard InChIKey: OXZSUQJHKQOGOK-UHFFFAOYSA-N
- CAS Registry Number: 6380-28-5
- 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. - Species with the same structure:
- Other names: Carvacryl acetate; 5-Isopropyl-o-tolyl acetate; Carvacrol acetate; Acetic acid, carvacryl-,
- Information on this page:
- Other data available:
- Options:
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 | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-1 | DB-5 | SE-30 | HP-5 |
Column length (m) | 30. | 30. | 30. | ||
Carrier gas | Hydrogen | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | not specified | 45C => 3C/min => 175C => 15C/min => 300C (10min) | not specified | not specified | 50C(3min) => 3C/min => 150C(10min) => 10 C/min => 250C |
I | 1371. | 1348. | 1371. | 1367. | 1373. |
Reference | Pontes, de Olivera, et al., 2007 | Faleio, Miguel, et al., 2005 | Vilaseca, Guy, et al., 2004 | Vinogradov, 2004 | Güllüce, Sökmen, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | AT-5 | DB-5 | Methyl Silicone |
Column length (m) | 60. | 30. | |
Carrier gas | He | He | |
Substrate | |||
Column diameter (mm) | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | |
Program | 50 0C 5 0C/min -> 135 0C (1 min) 5 0C/min -> 225 0C (5 min) 5 0C/min -> 260 0C | not specified | not specified |
I | 1371. | 1362. | 1367. |
Reference | Usai, Atzei, et al., 2003 | da Camara, Shepherd, et al., 2002 | Zenkevich, 1999 |
Comment | 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.
Pontes, de Olivera, et al., 2007
Pontes, W.J.T.; de Olivera, J.C.G.; da Camara, C.A.G.; Lopes, A.C.H.R.; Gondim Jr.; de Olivera, J.V.; Barros, R.; Schwartz, M.O.E.,
Chemical composition and acaridical activity of the leaf and fruit essential oils of Protium heptaphyllum (Aubl.) Marchand (Burseraceae),
Acta Amazonica, 2007, 37, 1, 103-110, https://doi.org/10.1590/S0044-59672007000100012
. [all data]
Faleio, Miguel, et al., 2005
Faleio, L.; Miguel, G.; Gomes, S.; Costa, L.; Venancio, F.; Teixeira, A.; Figueiredo, A.C.; Barroso, J.G.; Pedro, L.G.,
Antibacterial and Antioxidant Activities of Essential Oils Isolated from Thymbra capitata L. (Cav.) and Origanum vulgare L.,
J. Agric. Food Chem., 2005, 53, 21, 8162-8168, https://doi.org/10.1021/jf0510079
. [all data]
Vilaseca, Guy, et al., 2004
Vilaseca, A.; Guy, I.; Charles, B.; Guinaudeau, H.; de Arias, A.R.; Fournet, A.,
Chemical composition and insecticidal activity of Hedeoma mandoniana essential oils,
J. Essent. Oil Res., 2004, 16, 4, 380-383, https://doi.org/10.1080/10412905.2004.9698749
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Güllüce, Sökmen, et al., 2003
Güllüce, M.; Sökmen, M.; Daferera, D.; Agar, G.; Özkan, H.; Kartal, N.; Polissiou, M.; Sökmen, A.; Sahín, F.,
In vitro antibacterial, antifungal, and antioxidant activities of the essential oil and methanol extracts of herbal parts and callus cultures of Satureja hortensis L.,
J. Agric. Food Chem., 2003, 51, 14, 3958-3965, https://doi.org/10.1021/jf0340308
. [all data]
Usai, Atzei, et al., 2003
Usai, M.; Atzei, A.; Pintore, G.; Casanova, I.,
Composition and variability of the essential oil of Sardinian Thymus herba-barona Loisel,
Flavour Fragr. J., 2003, 18, 1, 21-25, https://doi.org/10.1002/ffj.1137
. [all data]
da Camara, Shepherd, et al., 2002
da Camara, C.A.G.; Shepherd, S.L.K.; Joaquim, D.R.G.,
Análise químnica da cultura de tecidos do híbrido Clusia paralicola X Clusia weddelliana,
Revista Brasileira de Farmacognosia, 2002, 12, 26-28, https://doi.org/10.1590/S0102-695X2002000300013
. [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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