Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3
- IUPAC Standard InChIKey: RXBQNMWIQKOSCS-UHFFFAOYSA-N
- CAS Registry Number: 515-00-4
- 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:
- Stereoisomers:
- Other names: 2-Pinen-10-ol; Myrtenol; 6,6-dimethyl-2-oxymethlybicyclo[1.1.3]-hept-2-ene (myrtenol); 6,6-Dimethyl-bicyclo[3,1,1]hept-2-ene-2-methanol; Myrtenol (α-pinene-10-ol); (-)-pin-2-ene-10-ol
- 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 | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | BP-1 | DB-5MS | AT-5 | AT-5 |
| Column length (m) | 30. | 30. | 60. | 60. | |
| Carrier gas | He | N2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Program | 60C(5min) => 3C/min => 100C => 1C/min => 160C => 10C/min => 240C(10min) | 60C => 5C/min => 220C (5min) => 3C/min => 245C(5min) | 60C(5min) => 2C/min => 140C= 5C/min => 250C(5min) | 60 C 4K/min -> 200 C 10 K/min -> 280 C | 60 C (1 min) 4 K/min -> 200 C 10 K/min -> 280 C |
| I | 1193. | 1185. | 1187. | 1195. | 1206. |
| Reference | de Marchese, de Heluani, et al., 2007 | Khan, Verma, et al., 2006 | Tuberoso, Kowalczyk, et al., 2005 | Khouri, Usubillaga, et al., 2000 | Rojas and Usubillaga, 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-5 |
| Column length (m) | 30. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.26 |
| Phase thickness (μm) | 0.25 |
| Program | not specified |
| I | 1194. |
| Reference | Adams, 1998 |
| Comment | 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.
de Marchese, de Heluani, et al., 2007
de Marchese, M.J.A.; de Heluani, C.S.; Catalán, C.A.N.; Griffin, C.A.; Vaughn, J.B., Jr.; Herz, W.,
Incisol, an alcohol with a novel sesquiterpene skeleton from Xenophyllum incisum,
Biochem. Syst. Ecol., 2007, 35, 3, 169-175, https://doi.org/10.1016/j.bse.2006.10.006
. [all data]
Khan, Verma, et al., 2006
Khan, M.; Verma, S.C.; Srivastava, S.K.; Shawl, A.S.; Syamsundar, K.V.; Khanuja, S.P.S.; Kumar, T.,
Essential oil composition of Taxus wallichiana Zucc. from the Northern Himalayan region of India,
Flavour Fragr. J., 2006, 21, 5, 772-775, https://doi.org/10.1002/ffj.1682
. [all data]
Tuberoso, Kowalczyk, et al., 2005
Tuberoso, C.I.G.; Kowalczyk, A.; Coroneo, V.; Russo, M.T.; Dessì, S.; Cabras, P.,
Chemical Composition and Antioxidant, Antimicrobial, and Antifungal Activities of the Essential Oil of Achillea ligustica All.,
J. Agric. Food Chem., 2005, 53, 26, 10148-10153, https://doi.org/10.1021/jf0518913
. [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]
Rojas and Usubillaga, 2000
Rojas, L.B.; Usubillaga, A.,
Composition of the essential oil fo Satureja brownei (SW.) Briq. from Venezuela,
Flavour Fragr. J., 2000, 15, 1, 21-22, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<21::AID-FFJ861>3.0.CO;2-G
. [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
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