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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-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-5 MS | HP-1 | Mega-5 | HP-5 MS | HP-5 MS |
| Column length (m) | 60. | 30. | 25. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 50. | 40. | 50. |
| Tend (C) | 250. | 240. | 220. | 250. | 250. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 7. |
| Initial hold (min) | 1. | 1. | 1. | 1. | |
| Final hold (min) | 20. | 5. | 3. | 5. | |
| I | 1081. | 1050. | 1068. | 1065. | 1070. |
| Reference | Sardashti, Valizadeh, et al., 2013 | Alizadeh and Shaabani, 2012 | Dell'Agli, Sanna, et al., 2012 | Jian-Yu, Zhu, et al., 2012 | Zouari, Ayadi, et al., 2012 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-1 | HP-5 | DB-5 | HP-5 MS | SE-30 MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 40. | 50. | 50. |
| Tend (C) | 240. | 240. | 250. | 180. | 250. |
| Heat rate (K/min) | 3. | 3. | 3. | 2. | 5. |
| Initial hold (min) | 5. | 5. | |||
| Final hold (min) | 20. | 10. | |||
| I | 1061. | 1069. | 1074. | 1062. | 1068. |
| Reference | Alizadeh, Khosh-Khui, et al., 2011 | Bertoli, Lepnardi, et al., 2011 | Cao, Li, et al., 2011 | Hammami, Kamoun, et al., 2011 | Menichini, Tundis, et al., 2011 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | HP-5 MS | HP-5 MS | SLB-5 MS | SLB-5 MS |
| Column length (m) | 30. | 30. | 30. | 10. | 10. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.10 | 0.10 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.10 | 0.10 |
| Tstart (C) | 70. | 100. | 100. | 50. | 50. |
| Tend (C) | 290. | 220. | 220. | 250. | 250. |
| Heat rate (K/min) | 5. | 2. | 2. | 10. | 10. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1070. | 1071. | 1099. | 1070. | 1077. |
| Reference | Lazarevic, Radulovic, et al., 2010 | Pripdeevech, Chumpolsri, et al., 2010 | Pripdeevech, Chumpolsri, et al., 2010 | Scandinaro, Tranchida, et al., 2010 | Scandinaro, Tranchida, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1-MS | DB-5 MS | DB-5 | BPX-5 | HP-5 |
| Column length (m) | 60. | 30. | 30. | 7.5 | 25. |
| Carrier gas | Helium | Helium | Nitrogen | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.10 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 10. | 0.25 |
| Tstart (C) | 30. | 50. | 40. | 60. | 60. |
| Tend (C) | 200. | 250. | 250. | 240. | 240. |
| Heat rate (K/min) | 2. | 2. | 3. | 3. | 4. |
| Initial hold (min) | 4. | 5. | 1. | 2. | |
| Final hold (min) | 35. | 10. | |||
| I | 1052. | 1076. | 1057. | 1081. | 1070. |
| Reference | Takeoka, Hobbs, et al., 2010 | Koba, Sanda, et al., 2009 | Rahmi-Nasrabadi, Gholivand, et al., 2009 | Shellie, 2008 | Verdian-rizi, 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | CP Sil 5 CB | NB-30 | DB-1 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 60. | 30. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.249 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 50. | 70. | 60. |
| Tend (C) | 280. | 220. | 250. | 230. | 290. |
| Heat rate (K/min) | 3. | 3. | 2. | 2. | 3. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 3. | 20. | |||
| I | 1097. | 1070. | 1058. | 1057. | 1098. |
| Reference | Bozin, Mimicá-Dukic, et al., 2006 | Hymete, Rohloff, et al., 2006 | Orav, Raal, et al., 2006 | Sawamura, Onishi, et al., 2006 | Bos, Stojanova, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RSL-200 | ZB-5 | SE-54 | HP-5MS | DB-5 |
| Column length (m) | 30. | 60. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 60. | 50. | 35. |
| Tend (C) | 280. | 260. | 260. | 230. | 220. |
| Heat rate (K/min) | 6. | 6. | 2. | 5. | 2.5 |
| Initial hold (min) | 2. | 4.6 | 5. | 2. | |
| Final hold (min) | 10. | 1. | 10. | 6. | |
| I | 1091. | 1080. | 1071. | 1091. | 1089. |
| Reference | Jirovetz, Buchbauer, et al., 2005 | Jürgens and Dötterl, 2004 | Kilic, Hafizoglu, et al., 2004 | Li and Jiang, 2004 | Rohloff, Mordal, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RTX-5Sil | RSL-200 | DB-1 | DB-1 | OV-101 |
| Column length (m) | 30. | 30. | 60. | 25. | 25. |
| Carrier gas | He | H2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.23 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.20 | |
| Tstart (C) | 70. | 40. | 50. | 50. | 50. |
| Tend (C) | 200. | 280. | 250. | 200. | 200. |
| Heat rate (K/min) | 4. | 6. | 4. | 3. | 5. |
| Initial hold (min) | 5. | 3. | |||
| Final hold (min) | 10. | 5. | 30. | ||
| I | 1072. | 1059. | 1052. | 1080. | 1061. |
| Reference | Dudai, Larkov, et al., 2003 | Jirovetz, Buchbauer, et al., 2003 | Pourmortazavi, Sefidkon, et al., 2003 | Khallouki, Younos, et al., 2002 | Zollo, Biyiti, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-5 |
| Column length (m) | 30. |
| Carrier gas | Helium |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 60. |
| Tend (C) | 240. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1068. |
| Reference | Tellez, Estell, et al., 1997 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Sardashti, Valizadeh, et al., 2013
Sardashti, A.R.; Valizadeh, J.; Adhami, Y.,
Variations in the essential oil composition of Peroskia abrotonolides of different growth stage in Baluchestan,
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Alizadeh and Shaabani, 2012
Alizadeh, A.; Shaabani, M.,
Essential oil composition, phenolic content, antioxidant and antimicrobial activity in Salvia officinalis L. cultivated in Iran,
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Dell'Agli, Sanna, et al., 2012
Dell'Agli, M.; Sanna, C.; Rubiolo, P.; BAsilico, N.; Colombo, E.; Scaltrito, M.M.; Ndiath, M.O.; Maccarone, L.; Taramelli, D.; Bicchi, C.; Ballero, M.; Bosisio, E.,
Anti-plasmodial and insecticidal activities of the essential oils of aromatic plants growing in the Mediterranian area,
Malaria Journal, 2012, 11, 1, 219-228, https://doi.org/10.1186/1475-2875-11-219
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Jian-Yu, Zhu, et al., 2012
Jian-Yu, S.; Zhu, L.; Tian, Y.-J.,
Chemical composition and antimicrobial activities of essential oil of Matricaria songarica,
Int. J. Agriculture Biology, 2012, 14, 1, 107-110. [all data]
Zouari, Ayadi, et al., 2012
Zouari, N.; Ayadi, I.; Fakhfakh, N.; Rebai, A.; Zouari, S.,
Variations of chemical composition of essential oils in wild-populations of Thymus algeriensis Boiss et Reut., a North African endemic species,
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Alizadeh, Khosh-Khui, et al., 2011
Alizadeh, A.; Khosh-Khui, M.; Javidnia, K.; Firuzi, O.; Jokar, S.M.,
Chemical composition of the essential oil, total phenolic content and antioxidant activity in Origanum maiorana L. (Lamiaceae) cultivated in Iran,
Adv. Environ. Biol., 2011, 5, 8, 2326-2331. [all data]
Bertoli, Lepnardi, et al., 2011
Bertoli, A.; Lepnardi, M.; Krzyzanowska, J.; Oleszek, W.; Pistelli, L.,
Mentha longifolia in vitro cultures as safe source of flavouring ingradients,
Acta Biochem. Polonica, 2011, 58, 4, 581-587. [all data]
Cao, Li, et al., 2011
Cao, H.; Li, Z.; Chen, X.,
QSRR study of GC retention indices of volatile compounds emitted from Mosla chinensis Maxim. by multiply linear regression,
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Hammami, Kamoun, et al., 2011
Hammami, I.; Kamoun, N.; Rebai, A.,
Biocontrol of Botrytis cinerea with essential oil and methanol extract of Viola odorata flowers,
Archives of Appl. Sci. Res., 2011, 3, 5, 44-51. [all data]
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,
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Lazarevic, Radulovic, et al., 2010
Lazarevic, J.; Radulovic, N.; Palic, R.; Zlatkovic, B.,
Chemical Analusis of volatile constituents of Berula erecta (Hudson) Coville subsp. erecta (Apiaceae) from Serbia,
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Pripdeevech, Chumpolsri, et al., 2010
Pripdeevech, P.; Chumpolsri, W.; Suttiarporn, P.; Wongpornchai, S.,
The chemical composition and antioxidant activities of Basil from Thailand using retention indices and comprehensive two-dimensional gas chromatography,
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Scandinaro, Tranchida, et al., 2010
Scandinaro, M.; Tranchida, P.Q.; Costa, R.; Dugo, P.; Mondello, L.,
Rapid Quality Control of Flavours and Fragrances using Fast GC-MS and Multi-MS Library Search Procedures,
LCGC Europe, 2010, 23, 9, 456-464. [all data]
Takeoka, Hobbs, et al., 2010
Takeoka, G.R.; Hobbs, C.; Byeoung-Soo, P.,
Volatile constituents of the aerial parts of Salvia apiana Jepson,
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Koba, Sanda, et al., 2009
Koba, K.; Sanda, K.; Guyon, C.; Raynaud, C.; Chaumont, J.-P.; Nicod, L.,
In vitro cytotoxic activity of Cymbopogon citratus L. and Cymbopogon nardus L. essential oils from Togo,
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Rahmi-Nasrabadi, Gholivand, et al., 2009
Rahmi-Nasrabadi, M.; Gholivand, M.B.; Batooli, H.,
Chemical composition of the essential oil from leaves and flowering aerial parts of Haplophyllum robustum Bge. (Rutaceae),
Digest J. Nanomaterials Biostructures, 2009, 4, 4, 819-822. [all data]
Shellie, 2008
Shellie, R.A.,
Comprehensive 2D GC-QPMS with differential flow modulation,
LV-GC, 2008, 11, 7-18. [all data]
Verdian-rizi, 2008
Verdian-rizi, M.,
Phenological variations of Laurus nobilis L. essential oil from Iran,
Electronic J. Environ. Agricultural Food Chem., 2008, 7, 11, 3321-3325. [all data]
Bozin, Mimicá-Dukic, et al., 2006
Bozin, B.; Mimicá-Dukic, N.; Simin, N.; Anackov, G.,
Characterization of the volatile composition of essential oils of some lamiaceae spices and the antimicrobial and antioxidant activities of the entire oils,
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Hymete, Rohloff, et al., 2006
Hymete, A.; Rohloff, J.; Iversen, T.-H.,
Essential oil from seeds and husks of Aframomum corrorima from Ethiopia,
Flavour Fragr. J., 2006, 21, 4, 642-644, https://doi.org/10.1002/ffj.1634
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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
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Bos, Stojanova, et al., 2005
Bos, R.; Stojanova, A.; Woerdenbag, H.J.; Koulman, A.; Quax, W.J.,
Volatile components of the aerial parts of Artemisia pontica L. grown in Bulgaria,
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Jirovetz, Buchbauer, et al., 2005
Jirovetz, L.; Buchbauer, G.; Stoyanova, A.; Georgiev, E.V.; Damianova, S.T.,
Composition, quality control and antimicrobial activity of the essential oil of cumin (Cuminum cyminumL.) seeds from Bulgaria that had been stored for up to 36 years,
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Jürgens and Dötterl, 2004
Jürgens, A.; Dötterl, S.,
Chemical composition of anther volatiles in Ranunculaceae: genera-specific profiles in Aemone, Aquilegia, Caltha, Pulsatilla, Ranunculus, and Trollius species,
American Journal of Botany, 2004, 91, 12, 1969-1980, https://doi.org/10.3732/ajb.91.12.1969
. [all data]
Kilic, Hafizoglu, et al., 2004
Kilic, A.; Hafizoglu, H.; Kollmannsberger, H.; Nitz, S.,
Volatile constituents and key odorants in leaves, buds, flowers, and fruits of Laurus nobilis L.,
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Li and Jiang, 2004
Li, R.; Jiang, Z.-T.,
Chemical composition of the essential oil of Cuminum cyminum L. from China,
Flavour Fragr. J., 2004, 19, 4, 311-313, https://doi.org/10.1002/ffj.1302
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Rohloff, Mordal, et al., 2004
Rohloff, J.; Mordal, R.; Dragland, S.,
Chemotypical variation of tansy (Tanacetum vulgare L.) from 40 different locations in Norway,
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Dudai, Larkov, et al., 2003
Dudai, N.; Larkov, O.; Chaimovitsh, D.; Lewinsohn, E.; Freiman, L.; Ravid, U.,
Essential oil compounds of Origanum dayi Post,
Flavour Fragr. J., 2003, 18, 4, 334-337, https://doi.org/10.1002/ffj.1237
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Jirovetz, Buchbauer, et al., 2003
Jirovetz, L.; Buchbauer, G.; Shafi, M.P.; Kaniampady, M.M.,
Chemotaxonomical analysis of the essential oil aroma compounds of four different Ocimumspecies from southern India,
Eur. Food Res. Technol., 2003, 217, 2, 120-124, https://doi.org/10.1007/s00217-003-0708-1
. [all data]
Pourmortazavi, Sefidkon, et al., 2003
Pourmortazavi, S.M.; Sefidkon, F.; Hosseini, S.G.,
Supercritical carbon dioxide extraction of essential oils from Perovskia atriplicifolia Benth.,
J. Agric. Food Chem., 2003, 51, 18, 5414-5419, https://doi.org/10.1021/jf0341619
. [all data]
Khallouki, Younos, et al., 2002
Khallouki, F.; Younos, C.; Soulimani, R.; Bessière, J.M.,
Chemical composition of the essential oils of Annona cuneata L. and Annona senegalensis Pers. stem barks,
Flavour Fragr. J., 2002, 17, 5, 398-400, https://doi.org/10.1002/ffj.1115
. [all data]
Zollo, Biyiti, et al., 1998
Zollo, P.H.A.; Biyiti, L.; Tchoumbougnang, F.; Menut, C.; Lamaty, G.; Bouchet, Ph.,
Aromatic plants of tropical central Africa. Part XXXII. Chemical composition and antifungal activity of thirteen essential oils from aromatic plants of Cameroon,
Flavour Fragr. J., 1998, 13, 2, 107-114, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<107::AID-FFJ701>3.0.CO;2-G
. [all data]
Tellez, Estell, et al., 1997
Tellez, M.R.; Estell, R.E.; Frederickson, E.L.; Havstad, K.M.,
Essntial oil of Flourensia cernua DC,
J. Essent. Oil Res., 1997, 9, 6, 619-624, https://doi.org/10.1080/10412905.1997.9700799
. [all data]
Notes
Go To: Top, Normal alkane RI, non-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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