Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, [1S-(1α,3β,5α)]-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChIKey: MDFQXBNVOAKNAY-UHFFFAOYSA-N
- CAS Registry Number: 471-16-9
- 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: 4(10)-Thujen-3-ol, (1S,3R,5S)-(+)-; (+)-Sabinol; trans-Sabinol; Sabinol; Sabinol, (+)-; 1-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3-ol; 22555-53-9; 50464-77-2; cis-Sabinol; thuj-4(10)-en-3-ol
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- Other data available:
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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 | DB-5 MS | HP-5 | DB-1 | HP-5MS |
Column length (m) | 60. | 25. | 30. | 25. | 30. |
Carrier gas | Helium | Helium | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.30 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 50. | 50. | 50. | 50. |
Tend (C) | 250. | 240. | 240. | 250. | 250. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
Initial hold (min) | 1. | 5. | 3. | 10. | |
Final hold (min) | 20. | 5. | |||
I | 1136. | 1143. | 1136. | 1132. | 1149. |
Reference | Sardashti, Valizadeh, et al., 2013 | Chalchat, Figueredo, et al., 2010 | Monsef-Esfahani, Miri, et al., 2010 | Cégiéla-Carlioz, Bessière, et al., 2005 | Melkani, Dev, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | DB-5 | OV-1 | OV-1 | OV-1 |
Column length (m) | 30. | 30. | 25. | 25. | 25. |
Carrier gas | He | He | Hydrogen | Hydrogen | Hydrogen |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.30 | 0.30 | 0.30 |
Tstart (C) | 60. | 35. | 50. | 50. | 50. |
Tend (C) | 260. | 220. | 200. | 200. | 200. |
Heat rate (K/min) | 2. | 2.5 | 3. | 3. | 3. |
Initial hold (min) | 5. | 1. | 1. | 1. | |
Final hold (min) | 6. | 10. | 10. | 10. | |
I | 1141. | 1142. | 1114. | 1114. | 1114. |
Reference | Kilic, Hafizoglu, et al., 2004 | Rohloff, Mordal, et al., 2004 | Bicchi, Binello, et al., 1999 | Bicchi, Binello, et al., 1999 | Bicchi, Binello, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | OV-1 | DB-1 |
Column length (m) | 25. | 60. |
Carrier gas | Hydrogen | |
Substrate | ||
Column diameter (mm) | 0.32 | 0.32 |
Phase thickness (μm) | 0.30 | |
Tstart (C) | 50. | 50. |
Tend (C) | 200. | 250. |
Heat rate (K/min) | 3. | 4. |
Initial hold (min) | 1. | |
Final hold (min) | 10. | 5. |
I | 1117. | 1147. |
Reference | Bicchi, Binello, et al., 1999 | Binder, Flath, et al., 1989 |
Comment | MSDC-RI | 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,
Middle-East J. Sci. Res., 2013, 13, 6, 781-784. [all data]
Chalchat, Figueredo, et al., 2010
Chalchat, J.-C.; Figueredo, G.; Ozcan, M.M.; Unver, A.,
Effect of hydrodistillation and microwave distillation extraction methods on chemical composition of essential oil of pickling herb and myrtle plants,
South Western J. of Agriculture, 2010, 1, 2, 133-141. [all data]
Monsef-Esfahani, Miri, et al., 2010
Monsef-Esfahani, H.R.; Miri, A.; Amini, M.; Amanzadeh, Y.; Hadjiakhoondi, A.; Hajiaghaee, R.; Ajani, Y.,
Seasonal variations in the chemical composition, antioxidant activity and total phenolic content of Teucrium persicum Boiss. essential oils,
Res. J. Biol. Sci., 2010, 5, 7, 492-498, https://doi.org/10.3923/rjbsci.2010.492.498
. [all data]
Cégiéla-Carlioz, Bessière, et al., 2005
Cégiéla-Carlioz, P.; Bessière, J.-M.; David, B.; Mariotte, A.-M.; Gibbons, S.; Dijoux-Franca, M.-G.,
Modulation of multi-drug resistance (MDR) in Staphylococcus aureus by Osha (Ligusticum porteri L., Apiaceae) essential oil compounds,
Flavour Fragr. J., 2005, 20, 6, 671-675, https://doi.org/10.1002/ffj.1584
. [all data]
Melkani, Dev, et al., 2005
Melkani, A.B.; Dev, V.; Beauchamp, P.S.; Negi, A.; Mehta, S.P.S.; Melkani, K.B.,
Constituents of the essential oil of a new chemotype of Elsholtzia strobilifera Benth.,
Biochem. Syst. Ecol., 2005, 33, 4, 419-425, https://doi.org/10.1016/j.bse.2004.10.009
. [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.,
J. Agric. Food Chem., 2004, 52, 6, 1601-1606, https://doi.org/10.1021/jf0306237
. [all data]
Rohloff, Mordal, et al., 2004
Rohloff, J.; Mordal, R.; Dragland, S.,
Chemotypical variation of tansy (Tanacetum vulgare L.) from 40 different locations in Norway,
J. Agric. Food Chem., 2004, 52, 6, 1742-1748, https://doi.org/10.1021/jf0352430
. [all data]
Bicchi, Binello, et al., 1999
Bicchi, C.; Binello, A.; D'Amato, A.; Rubiolo, P.,
Reliability of Van den Dool retention indices in the analysis of essential oils,
J. Chromatogr. Sci., 1999, 37, 8, 288-294, https://doi.org/10.1093/chromsci/37.8.288
. [all data]
Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R.,
Volatile components of bittermelon,
J. Agric. Food Chem., 1989, 37, 2, 418-420, https://doi.org/10.1021/jf00086a032
. [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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