Phenol, 2-methyl-5-(1-methylethyl)-, acetate
- Formula: C12H16O2
- Molecular weight: 192.2542
- IUPAC Standard InChI: InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-8H,1-4H3
- 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:
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Gas Chromatography
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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1391. | Hazzit, Baaliouamer, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 280. C @ 30. min |
| Capillary | HP-5 | 1381. | Bouzouita, Kachouri, et al., 2003 | 30. m/0.25 mm/1. μm, He, 40. C @ 1. min, 5. K/min; Tend: 250. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1354. | Agnaniet, Makani, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | DB-1 | 1353. | de Feo, Urrunaga Soria, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min; Tend: 250. C |
| Capillary | DB-5 | 1371. | Miri, Ramezani, et al., 2002 | He, 4. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 260. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1369. | Isidorov, Krajewska, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 50C => 6C/min => 100C => 4C/min => 280C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1375. | Oliveira, Leitão, et al., 2007 | 25. m/0.2 mm/0.33 μm, H2, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1368. | Pontes, de Olivera, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen, 4. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-5 | 1372. | Sefidkon, Abbasi, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 240. C |
| Capillary | ZB-5 | 1364. | Biondi, Sari, et al., 2006 | 30. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 40. C; Tend: 300. C |
| Capillary | HP-5 | 1368. | Figuérédo, Cabassu, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min, 300. C @ 5. min |
| Capillary | DB-5 | 1371. | Sefidkon, Abbasi, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 240. C |
| Capillary | HP-5 | 1368. | Figuérédo, Cabassu, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min, 300. C @ 5. min |
| Capillary | DB-5 | 1341. | Tzakou and Constantinidis, 2005 | 30. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | BPX-5 | 1376. | Vilaseca, Guy, et al., 2004 | 25. m/0.22 mm/1. μm, He, 60. C @ 5. min, 3. K/min, 250. C @ 10. min |
| Capillary | DB-5 | 1363. | da Camara, Shepherd, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 290. C |
| Capillary | HP-5 | 1372. | Mohagheghzadeh, Shams-Ardakani, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 275. C |
| Capillary | DB-1 | 1348. | Salgueiro, Vila, et al., 1997 | 6. K/min; Tstart: 80. C; Tend: 220. C |
| Capillary | OV-101 | 1344. | Nykanen, 1986 | 40. C @ 5. min, 3.5 K/min; Column length: 50. m; Column diameter: 0.30 mm; Tend: 230. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1371. | Pontes, de Olivera, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: not specified |
| Capillary | DB-1 | 1348. | Faleio, Miguel, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C (10min) |
| Capillary | DB-5 | 1371. | Vilaseca, Guy, et al., 2004 | Program: not specified |
| Capillary | SE-30 | 1367. | Vinogradov, 2004 | Program: not specified |
| Capillary | HP-5 | 1373. | Güllüce, Sökmen, et al., 2003 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(3min) => 3C/min => 150C(10min) => 10 C/min => 250C |
| Capillary | AT-5 | 1371. | Usai, Atzei, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 50 0C 5 0C/min -> 135 0C (1 min) 5 0C/min -> 225 0C (5 min) 5 0C/min -> 260 0C |
| Capillary | DB-5 | 1362. | da Camara, Shepherd, et al., 2002 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
| Capillary | Methyl Silicone | 1367. | Zenkevich, 1999 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1882. | Vernin, Lageot, et al., 2001 | 50. m/0.22 mm/0.25 μm, He, 2. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | Innowax | 1868. | Kaya, Baser, et al., 1999 | 60. m/0.25 mm/0.25 μm, He, 60. C @ 10. min; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax FSC | 1890. | Demirci, Paper, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hazzit, Baaliouamer, et al., 2006
Hazzit, M.; Baaliouamer, A.; Faleiro, M.L.; Miguel, M.G.,
Composition of the Essential Oils of Thymus and Origanum Species from Algeria and Their Antioxidant and Antimicrobial Activities,
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Bouzouita, Kachouri, et al., 2003
Bouzouita, N.; Kachouri, F.; Hamdi, M.; Chaabouni, M.M.,
Antimicrobial activity of essential oils from Tunisian aromatic plants,
Flavour Fragr. J., 2003, 18, 5, 380-383, https://doi.org/10.1002/ffj.1200
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Agnaniet, Makani, et al., 2005
Agnaniet, H.; Makani, T.; Akagah, A.; Menut, C.; Bessière, J.M.,
Volatile constituents and antioxidant activity of essential oils from Lippia multiflora Mold. growing in Gabon,
Flavour Fragr. J., 2005, 20, 1, 34-38, https://doi.org/10.1002/ffj.1383
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de Feo, Urrunaga Soria, et al., 2003
de Feo, V.; Urrunaga Soria, E.; Urrunaga Soria, R.; Senatore, F.,
Chemical composition of essential oils of senecio nutans Sch.-Bip. (Asteraceae),
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Miri, Ramezani, et al., 2002
Miri, R.; Ramezani, M.; Javidnia, K.; Ahmadi, L.,
Composition of the volatile oil of Thymus transcaspicus Klokov from Iran,
Flavour Fragr. J., 2002, 17, 4, 245-246, https://doi.org/10.1002/ffj.1104
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Isidorov, Krajewska, et al., 2001
Isidorov, V.A.; Krajewska, U.; Dubis, E.N.; Jdanova, M.A.,
Partition coefficients of alkyl aromatic hydrocarbons and esters in a hexane-acetonitrile system,
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Oliveira, Leitão, et al., 2007
Oliveira, D.R.; Leitão, G.G.; Bizzo, H.R.; Lopes, D.; Alviano, D.S.; Alviano, C.S.; Leitão, S.G.,
Chemical and antimicrobial analyses of essential oil of Lippia origanoides H.B.K,
Food Chem., 2007, 101, 1, 236-240, https://doi.org/10.1016/j.foodchem.2006.01.022
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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
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Sefidkon, Abbasi, et al., 2007
Sefidkon, F.; Abbasi, K.; Jamzad, Z.; Ahmadi, S.,
The effect of distillation methods and stage of plant growth on the essential oil content and composition of Satureja rechingeri Jamzad,
Food Chem., 2007, 100, 3, 1054-1058, https://doi.org/10.1016/j.foodchem.2005.11.016
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Biondi, Sari, et al., 2006
Biondi, D.M.; Sari, M.i.; Ghani, Z.A.l.; Ruberto, G.,
Essential oil of Algerian Saccocalyx satureioides Coss. et Durieu,
Flavour Fragr. J., 2006, 21, 3, 546-548, https://doi.org/10.1002/ffj.1661
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Figuérédo, Cabassu, et al., 2006
Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B.,
Studies of Mediterranean oregano populations. VIII. Chemical composition of essential oils of oreganos of various origins,
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Sefidkon, Abbasi, et al., 2006
Sefidkon, F.; Abbasi, K.; Bakhshi Khaniki, G.,
Influence of drying and extraction methods on yield and chemical composition of the essential oil of Satureja hortensis,
Food Chem., 2006, 99, 1, 19-23, https://doi.org/10.1016/j.foodchem.2005.07.026
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Figuérédo, Cabassu, et al., 2005
Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B.,
Studies of Mediterranean oregano populations- V. Chemical composition of essential oils of oregano: Origanum syriacum L. var. bevanii (Holmes) Ietswaart, O. syriacum L. var. sinaicum (Boiss.) Ietswaart, and O. syriacum L. var. syriacum from Lebanon and Israel,
Flavour Fragr. J., 2005, 20, 164-168. [all data]
Tzakou and Constantinidis, 2005
Tzakou, O.; Constantinidis, T.,
Chemotaxonomic significance of volatile compounds in Thymus samius and its related species Thymus atticus and Thymus parnassicus,
Biochem. Syst. Ecol., 2005, 33, 11, 1131-1140, https://doi.org/10.1016/j.bse.2005.03.008
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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,
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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]
Mohagheghzadeh, Shams-Ardakani, et al., 2000
Mohagheghzadeh, A.; Shams-Ardakani, M.; Ghannadi, A.,
Volatile constituents of callus and flower-bearing tops of Zataria multiflora Boiss. (Lamiaceae),
Flavour Fragr. J., 2000, 15, 6, 373-376, https://doi.org/10.1002/1099-1026(200011/12)15:6<373::AID-FFJ923>3.0.CO;2-9
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Salgueiro, Vila, et al., 1997
Salgueiro, L.R.; Vila, R.; Tomi, F.; Figueiredo, A.C.; Barroso, J.G.; Cañigueral, S.; Casanova, J.; da Cunha, A.P.; Adzet, T.,
Variability of essential oils of Thymus caespititius from Portugal,
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Nykanen, 1986
Nykanen, I.,
High Resolution Gas Chromatographic - Mass Spectrometric determination of the Flavour Composition of Wild Majoram (Origanum vulgare L.) Cultivated in Finland,
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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.,
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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.,
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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
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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]
Vernin, Lageot, et al., 2001
Vernin, G.; Lageot, C.; Gaydou, E.M.; Parkanyi, C.,
Analysis of the essential oil of Lippia graveolens HBK from El Salvador,
Flavour Fragr. J., 2001, 16, 3, 219-226, https://doi.org/10.1002/ffj.984
. [all data]
Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Demirci, B.; Koca, F.,
The essential oil of Acinos alpinus (L.) Moench growing in Turkey,
Flavour Fragr. J., 1999, 14, 1, 55-59, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<55::AID-FFJ784>3.0.CO;2-Q
. [all data]
Demirci, Paper, et al., 2004
Demirci, F.; Paper, D.H.; Franz, G.; Hüsnü Can Baser, K.,
Investigation of the origanum onites L. essential oil using the Chorioallantoic Membrane (CAM) assay,
J. Agric. Food Chem., 2004, 52, 2, 251-254, https://doi.org/10.1021/jf034850k
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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