Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1α,2α,5α)-
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChI: InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3
- IUPAC Standard InChIKey: KXSDPILWMGFJMM-UHFFFAOYSA-N
- CAS Registry Number: 17699-16-0
- 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: (1R,2R,5S)-5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol; trans-Sabinene hydrate (trans for Me vs IP); trans-Sabinene hydrate; trans-Sabinene hydroxide; Sabinene hydrate, trans; 5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol, (1α,2α,5α)-; (1α,2α,5α)-2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol; trans-4-Thujanol; cis-Sabinene hydrate (cis for OH vs IP); 15826-83-2; cis-Sabinene hydrate; trans-Sabinenhydrate; Sabinene hydrate-cis; cis-Sabinene hydroxide
- Information on this page:
- Other data available:
- Options:
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 | Stabilwax | DB-Wax | DB-Wax | Supelcowax-10 | Carbowax 20M |
| Column length (m) | 30. | 30. | 30. | 30. | 50. |
| Carrier gas | N2 | H2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | 0.2 |
| Tstart (C) | 50. | 40. | 40. | 75. | 60. |
| Tend (C) | 220. | 260. | 220. | 230. | 260. |
| Heat rate (K/min) | 2. | 4. | 3. | 3. | 2. |
| Initial hold (min) | 3. | 2. | 5. | ||
| Final hold (min) | 15. | 15. | |||
| I | 1482. | 1450. | 1467. | 1450. | 1464. |
| Reference | Hazzit, Baaliouamer, et al., 2006 | Avato, Raffo, et al., 2004 | Lopes, Strobl, et al., 2004 | Tzakou and Couladis, 2001 | Vera and Chane-Ming, 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | Carbowax 20M | Supelcowax-10 |
| Column length (m) | 50. | 60. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.25 |
| Phase thickness (μm) | 0.2 | |
| Tstart (C) | 60. | 35. |
| Tend (C) | 260. | 200. |
| Heat rate (K/min) | 2. | 3. |
| Initial hold (min) | 5. | |
| Final hold (min) | 20. | |
| I | 1464. | 1480. |
| Reference | Vera and Chane-Ming, 1999 | Wong and Tie, 1993 |
| Comment | MSDC-RI | 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.
Hazzit, Baaliouamer, et al., 2006
Hazzit, M.; Baaliouamer, A.; Faleiro, M.L.; Miguel, M.G.,
Composition of the Essential Oils of Thymus and Origanum Species from Algeria and Their Antioxidant and Antimicrobial Activities,
J. Agric. Food Chem., 2006, 54, 17, 6314-6321, https://doi.org/10.1021/jf0606104
. [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]
Lopes, Strobl, et al., 2004
Lopes, D.; Strobl, H.; Kolodziejczyk, P.,
14-Methylpentadecano-15-lactone (Muscolide): a new macrocyclic lactone from the oil of Angelica archangelica L.,
Chemistry and Biodiversity, 2004, 1, 12, 1880-1887, https://doi.org/10.1002/cbdv.200490144
. [all data]
Tzakou and Couladis, 2001
Tzakou, O.; Couladis, M.,
The essential oil of Micromeria graeca (L.) Bentham et Reichenb. growing in Greece,
Flavour Fragr. J., 2001, 16, 2, 107-109, https://doi.org/10.1002/ffj.955
. [all data]
Vera and Chane-Ming, 1999
Vera, R.R.; Chane-Ming, J.,
Chemical composition of the essential oil of marjoram (Origanum majorana L.) from Reunion Island,
Food Chem., 1999, 66, 2, 143-145, https://doi.org/10.1016/S0308-8146(98)00018-1
. [all data]
Wong and Tie, 1993
Wong, K.C.; Tie, D.Y.,
The Essential Oil of the Leaves of Murraya koenigii Spreng.,
J. Essent. Oil Res., 1993, 5, 4, 371-374, https://doi.org/10.1080/10412905.1993.9698245
. [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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