Benzenemethanol, α,α,4-trimethyl-
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChI: InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3
- IUPAC Standard InChIKey: XLPDVYGDNRIQFV-UHFFFAOYSA-N
- CAS Registry Number: 1197-01-9
- 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: p-Cymen-8-ol; 1-Methyl-4-(α-hydroxyisopropyl)benzene; 1-Methyl-4-(1-hydroxy-1-methylethyl)benzene; 2-(4-Methylphenyl)-2-propanol; 8-Hydroxy-p-cymene; p-Cymene-8-ol; para-Cymen-8-ol; p-Cymen-α-ol; p-Cymenol-8; p-cymenol; Cymen-8-ol; α,α,4-Trimethylbenzyl alcohol; α-4-Trimethyl-benzenemethanol; ρ-Cymene-8-ol; cimen-8-ol; Benzenemethanol,a`,a`,4-trimethyl-
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz RI, 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 | BP-20 | BP-20 | HP-Wax | BP-20 | DB-Wax |
| Column length (m) | 50. | 50. | 30. | 50. | 30. |
| Carrier gas | He | N2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.25 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 50. |
| Tend (C) | 220. | 220. | 220. | 220. | 220. |
| Heat rate (K/min) | 2. | 2. | 5. | 2. | 4. |
| Initial hold (min) | 10. | 4. | |||
| Final hold (min) | 20. | 20. | 20. | 20. | |
| I | 1852. | 1802. | 1833. | 1848. | 1818. |
| Reference | Blanc, Bradesi, et al., 2006 | Boti, Bighelli, et al., 2006 | Flamini, Tebano, et al., 2006 | Gonny, Cavaleiro, et al., 2006 | Osorio, Alarcon, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | Supelcowax-10 | Supelcowax-10 | DB-Wax | RTX-Wax |
| Column length (m) | 60. | 30. | 30. | 30. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.2 | 0.2 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.2 | 0.2 | 0.25 | 0.25 |
| Tstart (C) | 35. | 70. | 70. | 40. | 60. |
| Tend (C) | 220. | 220. | 220. | 240. | 220. |
| Heat rate (K/min) | 3. | 3. | 3. | 6. | 2. |
| Initial hold (min) | 10. | ||||
| Final hold (min) | 15. | 15. | 25. | 20. | |
| I | 1850. | 1845. | 1845. | 1824. | 1817. |
| Reference | Pala-Paul, Copeland, et al., 2006 | Pinto, Pina-Vaz, et al., 2006 | Salgueiro L.R., Pinto E., et al., 2006 | Varming, Andersen, et al., 2006 | Cozzani, Muselli, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | PEG | Carbowax 20M | DB-Wax | Supelcowax-10 | RTX-Wax |
| Column length (m) | 30. | 60. | 60. | 30. | 30. |
| Carrier gas | N2 | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
| Tstart (C) | 50. | 45. | 32. | 70. | 45. |
| Tend (C) | 220. | 250. | 220. | 220. | 240. |
| Heat rate (K/min) | 2. | 2. | 3. | 3. | 3. |
| Initial hold (min) | 3. | 0.17 | 6. | ||
| Final hold (min) | 15. | 15. | 10. | ||
| I | 1823. | 1818. | 1851. | 1845. | 1828. |
| Reference | Dob, Berramdane, et al., 2005 | Verzera, Campisi, et al., 2005 | Brophy, Goldsack, et al., 2004 | Cavaleiro, Salgueiro, et al., 2004 | Dugo, Mondello, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Wax | HP-Wax | BP-20 | BP-20 | DB-Wax |
| Column length (m) | 30. | 30. | 50. | 50. | 30. |
| Carrier gas | N2 | N2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 40. |
| Tend (C) | 240. | 240. | 220. | 220. | 200. |
| Heat rate (K/min) | 3. | 3. | 2. | 2. | 4. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 20. | 20. | 20. | ||
| I | 1845. | 1845. | 1854. | 1826. | 1838. |
| Reference | Flamini, Cioni, et al., 2004 | Flamini, Cioni, et al., 2004 | Gonny, Bradesi, et al., 2004 | Tam, Thuam, et al., 2004 | Yu, Kim, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Wax | RTX-Wax | RTX-Wax | RTX-Wax | AT-Wax |
| Column length (m) | 30. | 60. | 30. | 30. | 60. |
| Carrier gas | N2 | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 45. | 45. | 65. |
| Tend (C) | 220. | 230. | 250. | 250. | 250. |
| Heat rate (K/min) | 5. | 2. | 3. | 3. | 2. |
| Initial hold (min) | 10. | 6. | 6. | 10. | |
| Final hold (min) | 45. | 10. | 60. | ||
| I | 1845. | 1825. | 1825. | 1821. | 1829. |
| Reference | Bader, Caponi, et al., 2003 | Cavalli, Tomi, et al., 2003 | Shellie, Marriott, et al., 2003 | Mondello, Zappia, et al., 2002 | Pino, Marbot, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Wax 52CB | DB-Wax | CP-Wax 52CB | Carbowax 20M | DB-Wax |
| Column length (m) | 60. | 60. | 50. | 25. | 30. |
| Carrier gas | He | He | H2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.53 | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 1.0 | 0.3 | 0.5 | |
| Tstart (C) | 45. | 50. | 40. | 50. | 40. |
| Tend (C) | 250. | 220. | 220. | 200. | 245. |
| Heat rate (K/min) | 2. | 3. | 4. | 3. | 3. |
| Initial hold (min) | 0.17 | 5. | 1. | 3. | |
| Final hold (min) | 30. | 20. | 20. | ||
| I | 1818. | 1838. | 1839. | 1820. | 1809. |
| Reference | Verzera, Campisi, et al., 2001 | Brophy, Goldsack, et al., 2000 | Chevance and Farmer, 1999 | Bicchi, Rubiolo, et al., 1998 | Ollé, Baumes, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | Carbowax 20M | HP-20M |
| Column length (m) | 30. | 25. | 60. | 50. | 50. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.5 | 0.2 | |
| Tstart (C) | 40. | 50. | 50. | 30. | 60. |
| Tend (C) | 245. | 240. | 225. | 170. | 190. |
| Heat rate (K/min) | 3. | 4. | 2. | 4. | 3. |
| Initial hold (min) | 3. | 3. | 2. | ||
| Final hold (min) | 20. | 20. | 20. | ||
| I | 1809. | 1820. | 1850. | 1849. | 1814. |
| Reference | Ollé, Baumes, et al., 1998 | Möllenbeck, König, et al., 1997 | Sagrero-Nieves, Bartley, et al., 1997 | Píry, Príbela, et al., 1995 | Chung, Eiserich, et al., 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-FFAP | DB-Wax | DB-Wax | Carbowax 20M | DB-Wax |
| Column length (m) | 50. | 60. | 30. | 50. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.5 | |||
| Tstart (C) | 60. | 50. | 40. | 60. | 40. |
| Tend (C) | 210. | 230. | 200. | 180. | 220. |
| Heat rate (K/min) | 3. | 2. | 2. | 2. | 3. |
| Initial hold (min) | 4. | 10. | 4. | ||
| Final hold (min) | 30. | ||||
| I | 1887. | 1851. | 1843. | 1805. | 1850. |
| Reference | Chung, Eiserich, et al., 1993 | Shiratsuchi, Shimoda, et al., 1993 | Umano, Hagi, et al., 1992 | Kawakami, Sachs, et al., 1990 | Le Quere and Latrasse, 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. |
| Tend (C) | 250. | 250. |
| Heat rate (K/min) | 4. | 4. |
| Initial hold (min) | 3. | 3. |
| Final hold (min) | ||
| I | 1820. | 1820. |
| Reference | Fröhlich, Duque, et al., 1989 | Fröhlich, Duque, et al., 1989 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Blanc, Bradesi, et al., 2006
Blanc, M.-C.; Bradesi, P.; Goncalves, M.J.; Salgueiro, L.; Casanova, J.,
Essential oil of Dittrichia viscosa ssp. viscosa: analysis by 13C-NMR and antimicrobial activity,
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Boti, Bighelli, et al., 2006
Boti, J.B.; Bighelli, A.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
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Flamini, Tebano, et al., 2006
Flamini, G.; Tebano, M.; Cioni, P.L.; Bagci, Y.; Dural, H.; Ertugrul, K.; Uysal, T.; Savran, A.,
A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey,
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Gonny, Cavaleiro, et al., 2006
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Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR,
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Pala-Paul, Copeland, et al., 2006
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Antifuncal activity of the essential oil Thymus pulegioides on Candida, Aspergillus and dermatophyte species,
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Volatile Monoterpenes in Black Currant (Ribes nigrum L.) Juice: Effects of Heating and Enzymatic Treatment by β-Glucosidase,
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Shellie, Marriott, et al., 2003
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Pino, Marbot, et al., 2002
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Verzera, A.; Campisi, S.; Zappalá, M.; Bonaccorsi, I.,
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Comparison of free and glycosidically linked volatile components from polyembryonic and monoembryonic mango (Mangifera indica L.) cultivars,
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Chemical composition and analyses of enantiomers of essential oils from Madagascar,
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Sagrero-Nieves, Bartley, et al., 1997
Sagrero-Nieves, L.; Bartley, J.P.; Griselda Espinosa, B.; Dominguez, X.A.; Julia Verde S.,
Essential oil composition of Aristolochia brevipes Benth.,
Flavour Fragr. J., 1997, 12, 6, 401-403, https://doi.org/10.1002/(SICI)1099-1026(199711/12)12:6<401::AID-FFJ673>3.0.CO;2-D
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Píry, Príbela, et al., 1995
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Fractionation of volatiles from blackcurrant (Ribes nigrum L.) by different extractive methods,
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Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T.,
Volatile compounds isolated from edible Korean chamchwi (Aster scaber Thunb),
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Shiratsuchi, Shimoda, et al., 1993
Shiratsuchi, H.; Shimoda, M.; Minegishi, Y.; Osajima, Y.,
Isolation and identification of volatile flavor compounds in nonfermented coarse-cut sausage. Flavor as a quality factor of nonfermented sausage. 1,
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Notes
Go To: Top, Van Den Dool and Kratz RI, 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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