Phenol, 5-methyl-2-(1-methylethyl)-, acetate
- Formula: C12H16O2
- Molecular weight: 192.2542
- IUPAC Standard InChI: InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3
- IUPAC Standard InChIKey: WFMIUXMJJBBOGJ-UHFFFAOYSA-N
- CAS Registry Number: 528-79-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: O-Acetylthymol; Thymol acetate; Thymyl acetate; Thimyl acetate
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- Information on this page:
- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
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 | Mega-5 | DB-5 | RTX-5 MS | HP-5 | ZB-5 |
| Column length (m) | 25. | 30. | 30. | 25. | 30. |
| Carrier gas | Helium | Helium | He | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.33 | 0.25 |
| Tstart (C) | 50. | 40. | 45. | 60. | 40. |
| Tend (C) | 220. | 250. | 210. | 240. | 300. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 2. |
| Initial hold (min) | 1. | 5. | |||
| Final hold (min) | 5. | 20. | |||
| I | 1354. | 1347. | 1359. | 1358. | 1352. |
| Reference | Dell'Agli, Sanna, et al., 2012 | Cao, Li, et al., 2011 | Hudaib and Aburjai, 2007 | Oliveira, Leitão, et al., 2007 | Biondi, Sari, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | DB-1 | DB-5 | HP-5 | DB-5 |
| Column length (m) | 30. | 30. | 25. | 30. | 30. |
| Carrier gas | He | He | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.15 | 0.25 | |
| Tstart (C) | 50. | 50. | 50. | 50. | 40. |
| Tend (C) | 300. | 265. | 200. | 300. | 240. |
| Heat rate (K/min) | 5. | 2.5 | 4. | 5. | 4. |
| Initial hold (min) | 5. | 1. | 3. | 5. | |
| Final hold (min) | 5. | 20. | 5. | ||
| I | 1364. | 1336. | 1355. | 1364. | 1354. |
| Reference | Figuérédo, Cabassu, et al., 2006 | Iranshahi, Amin, et al., 2006 | Ouamba, Ouabonzi, et al., 2006 | Figuérédo, Cabassu, et al., 2005 | Sefidkon and Jamzad, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | SPB-1 | DB-5 | DB-5 | BPX-5 |
| Column length (m) | 30. | 50. | 60. | 30. | 25. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.2 | 0.25 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.25 | 1. |
| Tstart (C) | 60. | 50. | 40. | 50. | 60. |
| Tend (C) | 280. | 220. | 280. | 250. | 250. |
| Heat rate (K/min) | 3. | 4. | 4. | 3. | 3. |
| Initial hold (min) | 3. | 4. | 5. | 5. | |
| Final hold (min) | 30. | 10. | |||
| I | 1324. | 1330. | 1353. | 1355. | 1366. |
| Reference | Tzakou and Constantinidis, 2005 | Wong, Lee, et al., 2005 | Kalvandi, Sefidkon, et al., 2004 | Sefidkon, Jamzad, et al., 2004 | Vilaseca, Guy, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5MS | DB-1 | DB-1 | DB-5 | DB-5 |
| Column length (m) | 30. | 60. | 60. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 60. | 40. | 60. |
| Tend (C) | 240. | 220. | 220. | 290. | 240. |
| Heat rate (K/min) | 3. | 4. | 4. | 4. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1358. | 1364. | 1339. | 1354. | 1358. |
| Reference | Maia, Taveira, et al., 2003 | Rasooli and Mirmostafa, 2003 | Baher, Mirza, et al., 2002 | da Camara, Shepherd, et al., 2002 | Maia, Zoghbi, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | HP-5 | OV-101 | DB-1 |
| Column length (m) | 30. | 52. | |
| Carrier gas | He | Helium | |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.26 | |
| Phase thickness (μm) | 0.25 | 0.13 | |
| Tstart (C) | 60. | 50. | 80. |
| Tend (C) | 275. | 220. | 220. |
| Heat rate (K/min) | 4. | 3. | 6. |
| Initial hold (min) | 0. | ||
| Final hold (min) | 0. | ||
| I | 1355. | 1347. | 1330. |
| Reference | Mohagheghzadeh, Shams-Ardakani, et al., 2000 | Dzumayev, Tkachenko, et al., 1999 | Salgueiro, Vila, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dell'Agli, Sanna, et al., 2012
Dell'Agli, M.; Sanna, C.; Rubiolo, P.; BAsilico, N.; Colombo, E.; Scaltrito, M.M.; Ndiath, M.O.; Maccarone, L.; Taramelli, D.; Bicchi, C.; Ballero, M.; Bosisio, E.,
Anti-plasmodial and insecticidal activities of the essential oils of aromatic plants growing in the Mediterranian area,
Malaria Journal, 2012, 11, 1, 219-228, https://doi.org/10.1186/1475-2875-11-219
. [all data]
Cao, Li, et al., 2011
Cao, H.; Li, Z.; Chen, X.,
QSRR study of GC retention indices of volatile compounds emitted from Mosla chinensis Maxim. by multiply linear regression,
Chin. J. Chem., 2011, 29, 10, 2187-2196, https://doi.org/10.1002/cjoc.201180379
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Hudaib and Aburjai, 2007
Hudaib, M.; Aburjai, T.,
Volatile components of Thymus vulgaris L. from wild-growing and cultivated plants in Jordan,
Flavour Fragr. J., 2007, 22, 4, 322-327, https://doi.org/10.1002/ffj.1800
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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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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,
Flavour Fragr. J., 2006, 21, 1, 134-139, https://doi.org/10.1002/ffj.1543
. [all data]
Iranshahi, Amin, et al., 2006
Iranshahi, M.; Amin, G.; Sourmaghi, M.S.; Shafiee, A.; Hadjiakhoondi, A.,
Sulphur-containing compounds in the essential oil of the root of Ferula persica Willd. var. persica,
Flavour Fragr. J., 2006, 21, 2, 260-261, https://doi.org/10.1002/ffj.1574
. [all data]
Ouamba, Ouabonzi, et al., 2006
Ouamba, J.-M.; Ouabonzi, A.; Ekouya, A.; Bessière, J.-M.; Menut, C.; Abena, A.A.; Banzouzi, J.-T.,
Volatile constituents of the essential oil leaf of Lantana salvifolia Jacq. (Verbenaceae),
Flavour Fragr. J., 2006, 21, 1, 158-161, https://doi.org/10.1002/ffj.1553
. [all data]
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]
Sefidkon and Jamzad, 2005
Sefidkon, F.; Jamzad, Z.,
Chemical composition of the essential oil of three Iranian Satureja species (S. mutica, S. macrantha and S. intermedia),
Food Chem., 2005, 91, 1, 1-4, https://doi.org/10.1016/j.foodchem.2004.01.027
. [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
. [all data]
Wong, Lee, et al., 2005
Wong, K.C.; Lee, B.C.; Lam, N.F.; Ibrahim, P.,
Essential oils of the rhizomes of Alpinia conchigera Griff. and Alpinia latilabris Ridl.,
Flavour Fragr. J., 2005, 20, 4, 431-433, https://doi.org/10.1002/ffj.1458
. [all data]
Kalvandi, Sefidkon, et al., 2004
Kalvandi, R.; Sefidkon, F.; Atri, M.; Mirza, M.,
Analysis of the essential oil of Thymus eriocalyx from Iran,
Flavour Fragr. J., 2004, 19, 4, 341-343, https://doi.org/10.1002/ffj.1312
. [all data]
Sefidkon, Jamzad, et al., 2004
Sefidkon, F.; Jamzad, Z.; Mirza, M.,
Chemical variation in the essential oil of Satureja sahendica from Iran,
Food Chem., 2004, 88, 3, 325-328, https://doi.org/10.1016/j.foodchem.2003.12.044
. [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]
Maia, Taveira, et al., 2003
Maia, J.G.S.; Taveira, F.S.N.; Andrade, E.H.A.; da Silva, M.H.L.; Zoghbi, M.G.B.,
Essential oils of Lippia grandis Schau.,
Flavour Fragr. J., 2003, 18, 5, 417-420, https://doi.org/10.1002/ffj.1241
. [all data]
Rasooli and Mirmostafa, 2003
Rasooli, I.; Mirmostafa, S.A.,
Bacterial susceptibility to and chemical composition of essential oils from Thymus kotschyanus and Thymus persicus,
J. Agric. Food Chem., 2003, 51, 8, 2200-2205, https://doi.org/10.1021/jf0261755
. [all data]
Baher, Mirza, et al., 2002
Baher, Z.F.; Mirza, M.; Ghorbanli, M.; Rezaii, M.B.,
The influence of water stress on plant height, herbal and essential oil yield and composition in Satureja hortensis L.,
Flavour Fragr. J., 2002, 17, 4, 275-277, https://doi.org/10.1002/ffj.1097
. [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]
Maia, Zoghbi, et al., 2000
Maia, J.G.S.; Zoghbi, M.G.B.; Andrade, E.H.A.; da Silva, M.H.L.,
Essential oils from Conobea scoparioides (Cham. Schltdl.) Benth.,
Flavour Fragr. J., 2000, 15, 6, 413-414, https://doi.org/10.1002/1099-1026(200011/12)15:6<413::AID-FFJ931>3.0.CO;2-H
. [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
. [all data]
Dzumayev, Tkachenko, et al., 1999
Dzumayev, Kh.K.; Tkachenko, K.G.; Tsibulskaya, I.A.,
Essential Oils of Origanum tytthanthum Gontsch. Produced from Plants Grown in Southern Uzbekistan,
J. Essent. Oil Res., 1999, 11, 11, 593-598, https://doi.org/10.1080/10412905.1999.9701220
. [all data]
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,
Phytochemistry, 1997, 45, 2, 307-311, https://doi.org/10.1016/S0031-9422(96)00872-2
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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