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:
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 | RTX-Wax | BP-20 | Supelcowax-10 | Supelcowax-10 | Supelcowax-10 |
| Column length (m) | 60. | 50. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.2 | 0.2 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.2 | 0.2 | 0.2 |
| Tstart (C) | 60. | 60. | 70. | 70. | 70. |
| Tend (C) | 230. | 220. | 220. | 220. | 220. |
| Heat rate (K/min) | 2. | 2. | 3. | 3. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | 30. | 20. | 15. | 15. | 15. |
| I | 1451. | 1459. | 1459. | 1464. | 1459. |
| Reference | Bendahou, Muselli, et al., 2008 | Lesueur, de Rocca Serra, et al., 2007 | Pinto, Pina-Vaz, et al., 2006 | Salgueiro L.R., Pinto E., et al., 2006 | Salgueiro L.R., Pinto E., et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | Megawax | RTX-Wax | BP-20 |
| Column length (m) | 30. | 30. | 30. | 30. | 50. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 40. | 45. | 60. |
| Tend (C) | 250. | 250. | 220. | 240. | 220. |
| Heat rate (K/min) | 3. | 3. | 2. | 3. | 2. |
| Initial hold (min) | 6. | 6. | |||
| Final hold (min) | 20. | 20. | 10. | 10. | 20. |
| I | 1456. | 1456. | 1447. | 1451. | 1462. |
| Reference | Fanciullino, Gancel, et al., 2005 | Gancel, Ollitrault, et al., 2005 | Verzera, Trozzi, et al., 2005 | Dugo, Mondello, et al., 2004 | Gonny, Bradesi, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | Megawax | DB-Wax | BP-20 | RTX-Wax |
| Column length (m) | 60. | 30. | 60. | 50. | 30. |
| Carrier gas | H2 | He | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 70. | 60. | 45. |
| Tend (C) | 245. | 220. | 230. | 220. | 250. |
| Heat rate (K/min) | 1.5 | 2. | 2. | 2. | 3. |
| Initial hold (min) | 6. | 6. | |||
| Final hold (min) | 20. | 10. | 20. | 20. | 10. |
| I | 1456. | 1447. | 1469. | 1458. | 1450. |
| Reference | Gancel, Ollitrault, et al., 2003 | Verzera, Trozzi, et al., 2003 | Choi, Kim. M.-S.L., et al., 2002 | Lota, de Rocca Serra, et al., 2002 | Mondello, Zappia, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-20 | BP-20 | DB-Wax | BP-20 | BP-20 |
| Column length (m) | 50. | 50. | 60. | 50. | 50. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.53 | 0.22 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 1.0 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 60. | 60. |
| Tend (C) | 220. | 220. | 220. | 230. | 230. |
| Heat rate (K/min) | 2. | 2. | 3. | 2. | 2. |
| Initial hold (min) | |||||
| Final hold (min) | 20. | 35. | 35. | ||
| I | 1458. | 1456. | 1476. | 1458. | 1458. |
| Reference | Lota, Serra, et al., 2001 | Baldovini, Ristorcelli, et al., 2000 | Brophy, Goldsack, et al., 2000 | Lota, de Rocca Serra, et al., 2000 | Lota, de Rocca Serra, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Megawax | BP-20 | Innowax | Carbowax 20M | BP-20 |
| Column length (m) | 30. | 50. | 60. | 25. | 50. |
| Carrier gas | He | He | He | H2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.3 | 0.25 |
| Tstart (C) | 40. | 60. | 50. | 50. | 60. |
| Tend (C) | 220. | 230. | 180. | 200. | 230. |
| Heat rate (K/min) | 2. | 2. | 2.5 | 3. | 2. |
| Initial hold (min) | 6. | 5. | 1. | ||
| Final hold (min) | 10. | 35. | 20. | 35. | |
| I | 1447. | 1458. | 1444. | 1488. | 1459. |
| Reference | Verzera, Trozzi, et al., 2000 | Lota, Serra, et al., 1999 | Stashenko, Cervantes, et al., 1999 | Bicchi, Rubiolo, et al., 1998 | Mariotti, Costa, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | Carbowax 20M | DB-Wax | DB-Wax |
| Column length (m) | 50. | 60. | 30. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.2 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.2 | 0.25 | 0.5 |
| Tstart (C) | 30. | 50. | 40. |
| Tend (C) | 170. | 150. | 220. |
| Heat rate (K/min) | 4. | 2. | 3. |
| Initial hold (min) | 2. | 10. | |
| Final hold (min) | 20. | 20. | |
| I | 1461. | 1463. | 1468. |
| Reference | Píry, Príbela, et al., 1995 | Combariza, Tirado, et al., 1994 | Le Quere and Latrasse, 1990 |
| Comment | 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.
Bendahou, Muselli, et al., 2008
Bendahou, M.; Muselli, A.; Grignon-Dubois, M.; Benyoucef, M.; Desjobert, J.-M.; Bernardini, A.-F.; Costa, J.,
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Chemical composition and antibacterial activity of the essential oil of Michelia foveolata Merryll ex Dandy from Vietnam,
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Pinto, Pina-Vaz, et al., 2006
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Antifuncal activity of the essential oil Thymus pulegioides on Candida, Aspergillus and dermatophyte species,
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Antifungal activity of the essential oil of Thymus capitellatus against Candida, Aspergillus and dermatophyte strains,
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Fanciullino, Gancel, et al., 2005
Fanciullino, A.-L.; Gancel, A.-L.; Froelicher, Y.; Luro, F.; Ollitrault, P.; Brillouet, J.-M.,
Effects of Nucleo-cytoplasmic Interactions on Leaf Volatile Compounds from Citrus Somatic Diploid Hybrids,
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Gancel, A.-L.; Ollitrault, P.; Froelicher, Y.; Tomi, F.; Jacquemond, C.; Luro, F.; Brillouet, J.-M.,
Leaf volatile compounds of six citrus somatic allotetraploid hybrids originating from various combinations of lime, lemon, citron, sweet orange, and grapefruit,
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Verzera, Trozzi, et al., 2005
Verzera, A.; Trozzi, A.; Zappala, M.; Condurso, C.; Cotroneo, A.,
Essential Oil Composition of Citrus meyerii Y. Tan. and Citrus medica L. cv. Diamante and Their Lemon Hybrids,
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Dugo, Mondello, et al., 2004
Dugo, P.; Mondello, L.; Zappia, G.; Bonaccorsi, I.; Cotroneo, A.; Russo, M.T.,
The composition of the volatile fraction and the enantiomeric distribution of five volatile components of faustrime oil (Monocitrus australatica x Fortunella sp. x Citrus aurantifolia),
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Gonny, Bradesi, et al., 2004
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Identification of the components of the essential oil from wild Corsican Daucus carota L. using 13C-NMR spectroscopy,
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Gancel, Ollitrault, et al., 2003
Gancel, A.-L.; Ollitrault, P.; Froelicher, Y.; Tomi, F.; Jacquemond, C.; Luro, F.; Brillouet, J.-M.,
Leaf volatile compounds of seven citrus somatic tetraploid hybrids sharing willow leaf mandarin (Citrus deliciosa Ten.) as their common parent,
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Verzera, Trozzi, et al., 2003
Verzera, A.; Trozzi, A.; Gazea, F.; Cicciarelloi, G.; Cotroneo, A.,
Effects of rootstock on the composition of bergamot (Citrus bergamia Risso et Poiteau) essential oil,
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Choi, Kim. M.-S.L., et al., 2002
Choi, H.-S.; Kim. M.-S.L.; Sawamura, M.,
Constituents of the essential oil of cnidium officinale Makino, a Korean medicinal plant,
Flavour Fragr. J., 2002, 17, 1, 49-53, https://doi.org/10.1002/ffj.1038
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Lota, de Rocca Serra, et al., 2002
Lota, M.-L.; de Rocca Serra, D.; Tomi, F.; Jacquemond, C.; Casanova, J.,
Volatile components of peel and leaf oils of lemon and lime species,
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Mondello, Zappia, et al., 2002
Mondello, L.; Zappia, G.; Cotroneo, A.; Bonaccorsi, I.; Chowdhury, J.U.; Yusuf, M.; Dugo, G.,
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Lota, Serra, et al., 2001
Lota, M.-L.; Serra, D.R.; Jacquemond, C.; Tomi, F.; Casanova, J.,
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Baldovini, Ristorcelli, et al., 2000
Baldovini, N.; Ristorcelli, D.; Tomi, F.; Casanova, J.,
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Brophy, Goldsack, et al., 2000
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Chemical variability of peel and leaf essential oils of mandarins from Citrus reticulata Blanco,
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Bicchi, Rubiolo, et al., 1998
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Mariotti, Costa, et al., 1997
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Le Quere and Latrasse, 1990
Le Quere, J.-L.; Latrasse, A.,
Composition of the Essential Oils of Blackcurrant Buds (Ribes nigrum L.),
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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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
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