1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, [1R-(1α,4β,4aβ,8aβ)]-
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15+/m0/s1
- IUPAC Standard InChIKey: LHYHMMRYTDARSZ-ZQDZILKHSA-N
- CAS Registry Number: 19435-97-3
- 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. - Stereoisomers:
- τ-Muurolol
- 1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, [1R-(1α,4β,4aβ,8aβ)]-
- α-Cadinol
- τ-Cadinol
- Amorph-4-en-10-ol
- trans-Cadinol
- trans-Muurolol
- 10-epi- α-cadinol
- 10-epi-α-Muurolol
- (Z)-α-Cadinol
- Cadin-4-en-10-β-ol
- amorph-4-en-10α-ol
- α-Cadinol, isomer 1
- α-Cadinol, isomer 2
- amorph-4-en-10β-ol
- Cadinol
- di-exo-T-Cadinol
- epi-α-Muurolol
- α-Muurolol
- epi-α-Cadinol
- 1-epi-Cadinol
- β-Cadin-4-en-10-ol
- α-epi-Cadinol
- trans-Muurolol
- Pilgerol
- 1-Muurolol (?)
- Other names: (1R,4S,4aR,8aS)-4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol; 1β-Cadin-4-en-10-ol; δ-Cadinol; δ-Cadinol, (-)-; (-)-δ-Cadinol; (-)-Cedreanol; Cedreanol, (-)-; Torreyol; α-Muurolol; Amorphan-3-en-9-ol; 4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol; 36564-42-8; Muurolol; Torreyol (α-muurolol); α-muurolol (torreyol)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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- Other data available:
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Kovats' 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 | Supelcowax-10 | DB-Wax | Carbowax 20M | Carbowax 20M | Carbowax 20M |
| Column length (m) | 30. | 30. | 50. | 59. | 50. |
| Carrier gas | H2 | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.25 | 0.28 |
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Tstart (C) | 40. | 40. | 80. | 70. | 70. |
| Tend (C) | 210. | 260. | 200. | 190. | 190. |
| Heat rate (K/min) | 2. | 4. | 2. | 1. | 2. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 33. | 15. | |||
| I | 2196. | 2182. | 2150. | 2164. | 2150. |
| Reference | Sylvestre, Pichette, et al., 2006 | Avato, Raffo, et al., 2004 | Nishimura, Yamaguchi, et al., 1989 | Palma-Fleming and Kepner, 1983 | Tressl, Friese, et al., 1978 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Carbowax 20M |
| Column length (m) | 50. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.28 |
| Phase thickness (μm) | |
| Tstart (C) | 70. |
| Tend (C) | 190. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 2167. |
| Reference | Tressl, Friese, et al., 1978, 2 |
| Comment | MSDC-RI |
References
Go To: Top, Kovats' 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.
Sylvestre, Pichette, et al., 2006
Sylvestre, M.; Pichette, A.; Longtin, A.; Nagau, F.; Legault, J.,
Essential oil analysis and anticancer activity of leaf essential oil of Croton flavens L. from Guadeloupe,
J. Ethnopharmacol., 2006, 103, 1, 99-102, https://doi.org/10.1016/j.jep.2005.07.011
. [all data]
Avato, Raffo, et al., 2004
Avato, P.; Raffo, F.; Aldouri, N.A.; Vartanian, S.T.,
Essential oils of varthemia iphionoides from Jordan,
Flavour Fragr. J., 2004, 19, 6, 559-561, https://doi.org/10.1002/ffj.1351
. [all data]
Nishimura, Yamaguchi, et al., 1989
Nishimura, O.; Yamaguchi, K.; Mihara, S.; Shibamoto, T.,
Volatile Constituents of Guava Fruits (Psidium guajava L.) and Canned Puree,
J. Agric. Food Chem., 1989, 37, 1, 139-142, https://doi.org/10.1021/jf00085a033
. [all data]
Palma-Fleming and Kepner, 1983
Palma-Fleming, H.A.; Kepner, R.E.,
Volatile components of California live oak, Quercus agrifolia,
Phytochemistry, 1983, 22, 6, 1503-1505, https://doi.org/10.1016/S0031-9422(00)84047-9
. [all data]
Tressl, Friese, et al., 1978
Tressl, R.; Friese, L.; Fendesack, F.; Köppler, H.,
Gas chromatographic--mass spectrometric investigation of hop aroma constituents in beer,
J. Agric. Food Chem., 1978, 26, 6, 1422-1426, https://doi.org/10.1021/jf60220a037
. [all data]
Tressl, Friese, et al., 1978, 2
Tressl, R.; Friese, L.; Fendesack, F.; Köppler, H.,
Studies of the volatile composition of hops during storage,
J. Agric. Food Chem., 1978, 26, 6, 1426-1430, https://doi.org/10.1021/jf60220a036
. [all data]
Notes
Go To: Top, Kovats' 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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