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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Normal alkane 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-Innowax | NB-20M | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 60. | 60. | 60. |
| Carrier gas | Helium | He | N2 | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. | 70. | 70. | 70. |
| Tend (C) | 250. | 250. | 230. | 230. | 230. |
| Heat rate (K/min) | 5. | 2. | 2. | 2. | 2. |
| Initial hold (min) | 5. | 2. | 2. | 2. | |
| Final hold (min) | 10. | 20. | 20. | 20. | |
| I | 1450. | 1465. | 1469. | 1469. | 1461. |
| Reference | Menichini, Tundis, et al., 2011 | Orav, Raal, et al., 2006 | Sawamura, Onishi, et al., 2006 | Njoroge, Koaze, et al., 2005 | Tu, Onishi, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-Wax | DB-Wax |
| Column length (m) | 60. | 30. |
| Carrier gas | N2 | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 30. | 45. |
| Tend (C) | 170. | 220. |
| Heat rate (K/min) | 2. | 3. |
| Initial hold (min) | 4. | |
| Final hold (min) | 30. | |
| I | 1465. | 1476. |
| Reference | Buttery, Light, et al., 2000 | Mölleken, Sinnwell, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Menichini, Tundis, et al., 2011
Menichini, F.; Tundis, R.; Bonesi, M.; de Cindio, B.; Loizzo, M.R.; Conforti, F.; Statti, G.A.; Menabeni, R.; Bettini, R.; Menichini, F.,
Chemical composition and bioactivity of Citrus medica L. cv. Diamante essential oil obtained by hydrodistillation, cold-pressing and supercritical carbon dioxide extraction,
Nat. Prod. Res., 2011, 25, 8, 789-799, https://doi.org/10.1080/14786410902900085
. [all data]
Orav, Raal, et al., 2006
Orav, A.; Raal, A.; Arak, E.; Müürisepp, M.; Kailas, T.,
Composition of the essential oil of Artemisia absinthium L. of different geographical origin,
Proc. Est. Acad. Sci. Chem., 2006, 55, 3, 155-165. [all data]
Sawamura, Onishi, et al., 2006
Sawamura, M.; Onishi, Y.; Ikemoto, J.; Tu, N.T.M.; Phi, N.T.L.,
Characteristic odour components of bergamot (Citrus bergamia Risso) essential oil,
Flavour Fragr. J., 2006, 21, 4, 609-615, https://doi.org/10.1002/ffj.1604
. [all data]
Njoroge, Koaze, et al., 2005
Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M.,
Essential oil constituents of three varieties of Kenyan sweet oranges (Citrus sinensis),
Flavour Fragr. J., 2005, 20, 1, 80-85, https://doi.org/10.1002/ffj.1377
. [all data]
Tu, Onishi, et al., 2003
Tu, N.T.M.; Onishi, Y.; Choi, H.S.; Kondo, Y.; Ukeda, H.; Sawamura, M.,
Characteristic odour components of Citrus sp. (Kiyookadaidai) cold-pressed peel oil,
Flavour Fragr. J., 2003, 18, 6, 515-520, https://doi.org/10.1002/ffj.1260
. [all data]
Buttery, Light, et al., 2000
Buttery, R.G.; Light, D.M.; Nam, Y.; Merrill, G.B.; Roitman, J.N.,
Volatile components of green walnut husks,
J. Agric. Food Chem., 2000, 48, 7, 2858-2861, https://doi.org/10.1021/jf000288b
. [all data]
Mölleken, Sinnwell, et al., 1998
Mölleken, U.; Sinnwell, V.; Kubeczka, K.-H.,
Essential oil composition of Smyrnium olusatrum,
Phytochemistry, 1998, 49, 6, 1709-1714, https://doi.org/10.1016/S0031-9422(98)00195-2
. [all data]
Notes
Go To: Top, Normal alkane 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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