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:
Kovats' 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 |
|---|---|---|---|---|
| Active phase | HP-5MS | HP-5 | AT-5 | DB-5 |
| Column length (m) | 30. | 30. | 60. | 30. |
| Carrier gas | He | He | He | |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.26 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 50C(2min) => 2C/min => 160C(5min) => 50C/min => 270C (6min) | 40C(10min) => 3C/min => 200C => 2C/min => 220C | 60 C 4K/min -> 200 C 10 K/min -> 280 C | not specified |
| I | 1182. | 1185. | 1185. | 1183. |
| Reference | Mevy, Bousquet-Melou, et al., 2006 | Sibanda, Chigwada, et al., 2004 | Khouri, Usubillaga, et al., 2000 | Adams, 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Mevy, Bousquet-Melou, et al., 2006
Mevy, J.P.; Bousquet-Melou, A.; Greff, S.; Millogo, J.; Fernandez, C.,
Chemical composition of the volatile oil of Laggera aurita Schulz from Burkina-Faso,
Biochem. Syst. Ecol., 2006, 34, 11, 815-818, https://doi.org/10.1016/j.bse.2006.06.005
. [all data]
Sibanda, Chigwada, et al., 2004
Sibanda, S.; Chigwada, G.; Poole, M.; Gwebu, E.T.; Noletto, J.A.; Schmidt, J.M.; Rea, A.I.; Setzer, W.N.,
Composition and bioactivity of the leaf essential oil of Heteropyxis dehniae from Zimbabwe,
J. Ethnopharmacol., 2004, 92, 1, 107-111, https://doi.org/10.1016/j.jep.2004.02.010
. [all data]
Khouri, Usubillaga, et al., 2000
Khouri, N.; Usubillaga, A.; Rojas, L.B.; Galarraga, F.,
The essential oil of Espeletia weddellii Sch. Bip. ex Wedd.,
Flavour Fragr. J., 2000, 15, 4, 263-265, https://doi.org/10.1002/1099-1026(200007/08)15:4<263::AID-FFJ907>3.0.CO;2-Q
. [all data]
Adams, 1998
Adams, R.P.,
The essential oils and chemotaxonomy of Juniperus sect. Juniperus,
Biochem. Syst. Ecol., 1998, 26, 6, 637-645, https://doi.org/10.1016/S0305-1978(98)00020-9
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.