Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1α,2β,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/t8?,9-,10-/m1/s1
- IUPAC Standard InChIKey: KXSDPILWMGFJMM-VXRWAFEHSA-N
- CAS Registry Number: 15537-55-0
- 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. - Stereoisomers:
- Other names: 5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol-, (1α,2β,5α)-; (1R,2S,5S)-5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol; cis-Sabinene hydrate (cis for IP vs Me); cis-Sabinene hydrate; Sabinene hydrate, cis; cis-Sabinenhydrate; (1α,2β,5α)-2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol; Sabinene hydrate trans (trans for IP vs. OH); trans-Sabinene hydrate (trans for IP vs. OH); cis-Thujane-4-ol; cis-4-Thujanol; 15826-82-1; (E)-Sabinene hydrate; Sabinene hydrate; 15537-55-0; Sabinene hydrate trans; c-sabinene hydrate; (Z)-Sabinene hydrate
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Van Den Dool and Kratz 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 | HP-20M | DB-Wax | Supelcowax-10 | DB-Wax | CP-Wax 52CB |
| Column length (m) | 50. | 60. | 60. | 30. | 50. |
| Carrier gas | He | N2 | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.2 | 0.25 | 0.23 |
| Phase thickness (μm) | 0.2 | 0.25 | 0.2 | 0.25 | 0.12 |
| Tstart (C) | 70. | 70. | 60. | 40. | 50. |
| Tend (C) | 180. | 230. | 200. | 200. | 200. |
| Heat rate (K/min) | 4. | 2. | 2. | 2. | 1.5 |
| Initial hold (min) | 4. | 2. | 5. | 10. | |
| Final hold (min) | 10. | 20. | 10. | 20. | 10. |
| I | 1423. | 1469. | 1426. | 1462. | 1473. |
| Reference | Skocibusic, Bezic, et al., 2006 | Njoroge, Koaze, et al., 2005 | Smadja, Rondeau, et al., 2005 | Kim, Thuy, et al., 2000 | Chyau, Mau, et al., 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Skocibusic, Bezic, et al., 2006
Skocibusic, M.; Bezic, N.; Dunkic, V.,
Phytochemical composition and antimicrobial activities of the essential oils from Satureja subspicata Vis. growing in Croatia,
Food Chem., 2006, 96, 1, 20-28, https://doi.org/10.1016/j.foodchem.2005.01.051
. [all data]
Njoroge, Koaze, et al., 2005
Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M.,
Volatile Constituents of Redblush Grapefruit ( Citrus paradisi) and Pummelo ( Citrus grandis) Peel Essential Oils from Kenya,
J. Agric. Food Chem., 2005, 53, 25, 9790-9794, https://doi.org/10.1021/jf051373s
. [all data]
Smadja, Rondeau, et al., 2005
Smadja, J.; Rondeau, P.; Sing, A.S.C.,
Volatile constituents of five Citrus Petitgrain essential oils from Reunion,
Flavour Fragr. J., 2005, 20, 4, 399-402, https://doi.org/10.1002/ffj.1438
. [all data]
Kim, Thuy, et al., 2000
Kim, T.H.; Thuy, N.T.; Shin, J.H.; Baek, H.H.; Lee, H.J.,
Aroma-active compounds of miniature beefsteakplant (Mosla dianthera Maxim.),
J. Agric. Food Chem., 2000, 48, 7, 2877-2881, https://doi.org/10.1021/jf000219x
. [all data]
Chyau, Mau, et al., 1996
Chyau, C.-C.; Mau, J.-L.; Wu, C.-M.,
Characteristics of the steam-distilled oil and carbon dioxide extract of Zanthoxylum simulans and fruits,
J. Agric. Food Chem., 1996, 44, 4, 1096-1099, https://doi.org/10.1021/jf950577d
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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