Benzenemethanol, α,α,4-trimethyl-
- Formula: C10H14O
- Molecular weight: 150.2176
- 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-
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Van Den Dool and Kratz 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 | HP-5MS | BPX-5 | BPX-5 | HP-5MS | 5 % Phenyl methyl siloxane |
Column length (m) | 30. | 30. | 30. | 30. | 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 | 0.25 | 0.25 | 0.25 | 0.15 |
Program | 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) | 35C => 4C/min => 200C => 30C/min => 300C (3min) | 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min) | 50C (3min) => 3C/min => 200C => 6C/min => 240C | 45C => 1C/min => 100C => 5C/min => 250C (10min) |
I | 1189.3 | 1199. | 1216. | 1183. | 1183. |
Reference | Andriamaharavo, 2014 | Dharmawan, Kasapis, et al., 2007 | Cardeal, da Silva, et al., 2006 | Akpulat, Tepe, et al., 2005 | Sacchetti, Maietti, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | CBP-5 | DB-5 | DB-5 | SE-52 |
Column length (m) | 50. | 30. | 30. | 25. |
Carrier gas | He | H2 | H2 | He |
Substrate | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 60C(2min) => 3C/min => 240C => 10C/min => 280C(10min) | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) | 60 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 230 0C |
I | 1176. | 1180. | 1182. | 1184. |
Reference | Azevedo, Campos, et al., 2002 | Boulanger, Chassagne, et al., 1999 | Boulanger, Chassagne, et al., 1999 | Loayza, de Groot, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Dharmawan, Kasapis, et al., 2007
Dharmawan, J.; Kasapis, S.; Curran, P.; Johnson, J.R.,
Characterization of volatile compounds in selected citrus fruits from Asia. Part I: freshly-squeezed juice,
Flavour Fragr. J., 2007, 22, 3, 228-232, https://doi.org/10.1002/ffj.1790
. [all data]
Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J.,
Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles,
Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665
. [all data]
Akpulat, Tepe, et al., 2005
Akpulat, H.A.; Tepe, B.; Sokmen, A.; Daferera, D.; Polissiou, M.,
Composition of the essential oils of Tanacetum argyrophyllum (C. Koch) Tvzel. var. argyrophyllum and Tanacetum parthenium (L.) Schultz Bip. (Asteraceae) from Turkey,
Biochem. Syst. Ecol., 2005, 33, 5, 511-516, https://doi.org/10.1016/j.bse.2004.10.006
. [all data]
Sacchetti, Maietti, et al., 2005
Sacchetti, G.; Maietti, S.; Muzzoli, M.; Scaglianti, M.; Manfredini, S.; Radice, M.; Bruni, R.,
Comparative evaluation of 11 essential oils of different origin as functional antioxidants, antiradicals and antimicrobials in foods,
Food Chem., 2005, 91, 4, 621-632, https://doi.org/10.1016/j.foodchem.2004.06.031
. [all data]
Azevedo, Campos, et al., 2002
Azevedo, N.R.; Campos, I.F.P.; Ferreira, H.D.; Portes, T.A.; Seraphin, J.C.; de Paula, J.R.; Santos, S.C.; Ferri, P.H.,
Essential oil chemotypes in Hyptis suaveolens from Brazilian Cerrado,
Biochem. Syst. Ecol., 2002, 30, 3, 205-216, https://doi.org/10.1016/S0305-1978(01)00075-8
. [all data]
Boulanger, Chassagne, et al., 1999
Boulanger, R.; Chassagne, D.; Crouzet, J.,
Free and bound flavour components of amazonian fruits. 1: Bacuri,
Flavour Fragr. J., 1999, 14, 5, 303-311, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<303::AID-FFJ834>3.0.CO;2-C
. [all data]
Loayza, de Groot, et al., 1999
Loayza, I.; de Groot, W.; Lorenzo, D.; Dellacassa, E.; Mondello, L.; Dugo, G.,
Composition of the essential oil of Porophyllum ruderale (Jacq.) Cass. from Bolivia,
Flavour Fragr. J., 1999, 14, 6, 393-398, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<393::AID-FFJ849>3.0.CO;2-5
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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