1H-Benzocyclohepten-9-ol, 2,4a-β,5,6,7,8,9,9a-β-octahydro-3,5,5,9-β-tetramethyl-
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-11-6-7-12-13(10-11)14(2,3)8-5-9-15(12,4)16/h10,12-13,16H,5-9H2,1-4H3
- IUPAC Standard InChIKey: BBAMLNIPVMLTSQ-UHFFFAOYSA-N
- CAS Registry Number: 1891-45-8
- 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: Himachalol; 2,4a-β,5,6,7,8,9,9a-β-Octahydro-3,5,5,9-β-tetramethyl-1H-benzocyclohepten-9-ol; Allo-Himachalol
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Gas Chromatography
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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1656. | Asuming, Beauchamp, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 10. min, 3. K/min, 250. C @ 5. min |
| Capillary | DB-5 | 1614. | Marongiu, Piras, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 240. C @ 30. min; Tstart: 60. C |
| Capillary | DB-5 | 1600. | Marongiu, Piras, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 240. C @ 30. min; Tstart: 60. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 1675. | Tuberoso, Kowalczyk, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(5min) => 2C/min => 140C= 5C/min => 250C(5min) |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1635. | Pavlovic, Tzakou, et al., 2006 | 30. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1657.4 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
| Capillary | CP Sil 8 CB | 1647. | Mockute and Judzentiene, 2003 | He; Column length: 50. m; Column diameter: 0.32 mm; Program: 60C (2min) => 5C/min => 160C (1min) => 10C/min => 250C (2min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1654. | Pripdeevech and Saansoomchai, 2013 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 230. C |
| Capillary | DB-5MS | 1611. | Maronigiu, Piras, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 30. min; Tstart: 60. C |
| Capillary | DB-5 | 1644. | Ferraz, Limberger, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 3. min, 3. K/min; Tend: 300. C |
| Capillary | DB-5 | 1654. | Morteza-Semnani and Saeedi, 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 4. min, 4. K/min; Tend: 220. C |
| Capillary | HP-5 | 1645. | Utsunomia, Kawata, et al., 2005 | 30. m/0.32 mm/0.25 μm, Helium, 4. K/min, 300. C @ 5. min; Tstart: 40. C |
| Capillary | HP-5 | 1646. | Stashenko, Jaramillo, et al., 2003 | 60. m/0.25 mm/0.25 μm, 40. C @ 15. min, 5. K/min; Tend: 250. C |
| Capillary | DB-5 | 1647. | Zoghbi, Andrade, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1646. | Tellez, Estell, et al., 1997 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CBP-5 | 1662. | de Morais, Oliveira, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: 60 0C 3 0C/min -> 240 0C 10 0C/min -> 280 0C (10 min) |
| Capillary | HP-5 | 1656. | Custer, 2009 | 25. m/0.32 mm/0.17 μm, Helium; Program: 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min) |
| Capillary | HP-5 | 1662. | Custer, 2009 | 25. m/0.32 mm/0.17 μm, Helium; Program: not specified |
| Capillary | HP-5 | 1652. | Custer, 2009 | 25. m/0.32 mm/0.17 μm, Helium; Program: 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min) |
| Capillary | HP-5 | 1653. | Custer, 2009 | 25. m/0.32 mm/0.17 μm, Helium; Program: not specified |
| Capillary | CP Sil 8 CB | 1647. | Judpentienë and Mockutë, 2004 | He; Column length: 50. m; Column diameter: 0.32 mm; Program: 60C(2min) => 5C/min => 160C (1min) => 10C/min => 250C (2min) |
| Capillary | CP Sil 8 CB | 1647. | Mockute and Judzentiene, 2002 | He; Column length: 50. m; Column diameter: 0.32 mm; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (2min) |
| Capillary | CP Sil 8 CB | 1647. | Mockute and Judzentiene, 2002, 2 | He; Column length: 50. m; Column diameter: 0.32 mm; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C(2min) |
| Capillary | CP Sil 5 CB | 1648. | Weyerstahl, Marschall, et al., 1998 | N2; Column length: 25. m; Phase thickness: 0.39 μm; Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax FSC | 2240. | Tabanca, Demirci, et al., 2006 | 60. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 2240. | Tabanca, Demirci, et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 2237. | Bagci, Baser, et al., 1999 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | DB-Wax | 2246. | Weyerstahl, Marschall, et al., 1998 | N2; Column length: 60. m; Phase thickness: 0.25 μm; Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Asuming, Beauchamp, et al., 2005
Asuming, W.A.; Beauchamp, P.S.; Descalzo, J.T.; Dev, B.C.; Dev, V.; Frost, S.; Ma, C.W.,
Essential oil composition of four Lomatium Raf. species and their chemotaxonomy,
Biochem. Syst. Ecol., 2005, 33, 1, 17-26, https://doi.org/10.1016/j.bse.2004.06.005
. [all data]
Marongiu, Piras, et al., 2003
Marongiu, B.; Piras, A.; Pani, F.; Porcedda, S.; Ballero, M.,
Extraction, separation and isolation of essential oils from natural matrices by supercritical CO2,
Flavour Fragr. J., 2003, 18, 6, 505-509, https://doi.org/10.1002/ffj.1258
. [all data]
Tuberoso, Kowalczyk, et al., 2005
Tuberoso, C.I.G.; Kowalczyk, A.; Coroneo, V.; Russo, M.T.; Dessì, S.; Cabras, P.,
Chemical Composition and Antioxidant, Antimicrobial, and Antifungal Activities of the Essential Oil of Achillea ligustica All.,
J. Agric. Food Chem., 2005, 53, 26, 10148-10153, https://doi.org/10.1021/jf0518913
. [all data]
Pavlovic, Tzakou, et al., 2006
Pavlovic, M.; Tzakou, O.; Petrakis, P.V.; Couladis, M.,
The essential oil of Hypericum perforatum L., Hypericum tetrapterum Fries and Hypericum olympicum L. growing in Greece,
Flavour Fragr. J., 2006, 21, 1, 84-87, https://doi.org/10.1002/ffj.1521
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Mockute and Judzentiene, 2003
Mockute, D.; Judzentiene, A.,
Variability of the essential oils composition of Achillea millefolium ssp. millefolium growing wild in Lithuania,
Biochem. Syst. Ecol., 2003, 31, 9, 1033-1045, https://doi.org/10.1016/S0305-1978(03)00066-8
. [all data]
Pripdeevech and Saansoomchai, 2013
Pripdeevech, P.; Saansoomchai, J.,
Antibacterial activity and chemical composition of essential oil and various extracts of Fagraea fragrans Roxb. flowers,
Chiang Mai J. Sci., 2013, 40, 2, 214-223. [all data]
Maronigiu, Piras, et al., 2006
Maronigiu, B.; Piras, A.; Porcedda, S.; Tuveri, E.,
Extraction of Santalum album and Boswellia carterii Birdw. volatile oil by supercritical carbon dioxide: influence of some process parameters,
Flavour Fragr. J., 2006, 21, 4, 718-724, https://doi.org/10.1002/ffj.1718
. [all data]
Ferraz, Limberger, et al., 2005
Ferraz, A.B.F.; Limberger, R.P.; Bordignon, S.A.L.; von Poser, G.L.; Henriques, A.T.,
Essential oil composition of six Hypericum species from southern Brazil,
Flavour Fragr. J., 2005, 20, 3, 335-339, https://doi.org/10.1002/ffj.1435
. [all data]
Morteza-Semnani and Saeedi, 2005
Morteza-Semnani, K.; Saeedi, M.,
The essential oil composition of Hypericum androsaemum L. leaves and flowers from Iran,
Flavour Fragr. J., 2005, 20, 3, 332-334, https://doi.org/10.1002/ffj.1432
. [all data]
Utsunomia, Kawata, et al., 2005
Utsunomia, H.; Kawata, J.; Chanoki, W.; Shirakawa, N.; Miyazawa, M.,
Components of Essential Oil from Woods of Prunus mume Sieb. at Zucc.,
J. Oleo Sci., 2005, 54, 11, 609-612, https://doi.org/10.5650/jos.54.609
. [all data]
Stashenko, Jaramillo, et al., 2003
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R.,
Comparación de la composición química y de la actividad antioxidante in vitro de los metabolitos secundarios volátiles de plantas de la familia verbenaceae,
Rev. Acad. Colomb. Cienc. Exactas Fis. Nat., 2003, 27, 105, 579-597. [all data]
Zoghbi, Andrade, et al., 2002
Zoghbi, M.G.B.; Andrade, E.H.A.; da Silva, M.H.; Maia, J.G.S.; Luz, A.I.R.; da Silva, J.D.,
Chemical variation in the essential oils of Hyptis crenata Pohl ex Benth.,
Flavour Fragr. J., 2002, 17, 1, 5-8, https://doi.org/10.1002/ffj.1031
. [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]
de Morais, Oliveira, et al., 2012
de Morais, S.R.; Oliveira, T.L.S.; BAra, M.T.F.; da Conceicao, E.C.; Rezende, M.H.; Ferri, P.H.; de Paula, J.R.,
Chemical constituents of essential oil from Lippia sidoides Cham. (Verbenaceae) leaves cultivated in Hidrolandia, Goias, Brasil,
Int. J. Anal. Chem., 2012, 2012, 1-4, https://doi.org/10.1155/2012/363919
. [all data]
Custer, 2009
Custer, Y.,
GC Volatile Components Analysis of Different Parts of Litchi chinensis (Dissertation), 2009. [all data]
Judpentienë and Mockutë, 2004
Judpentienë, A.; Mockutë, D.,
Chemical composition of essential oils produced by pink flower inflorescences of wild Achillea millefolium L.,
Chemija, 2004, 15, 28-32. [all data]
Mockute and Judzentiene, 2002
Mockute, D.; Judzentiene, A.,
Chemotypes of the essential oils of Achillea millefolium L. ssp. millefolium growing wild in Eastern Lithuania,
Chemija, 2002, 13, 3, 168-173. [all data]
Mockute and Judzentiene, 2002, 2
Mockute, D.; Judzentiene, A.,
Chemical composition of the essential oils of Achillea millefolium L. ssp. millefolium (yarrow) growing wild in Vilnius,
Chemija, 2002, 13, 2, 97-102. [all data]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Subba, G.C.,
Constituents of the essential oil from the rhizomes of Hedychium gardnerianum Roscoe,
Flavour Fragr. J., 1998, 13, 6, 377-388, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<377::AID-FFJ755>3.0.CO;2-F
. [all data]
Tabanca, Demirci, et al., 2006
Tabanca, N.; Demirci, B.; Ozek, T.; Kirimer, N.; Can Baser, K.H.; Bedir, E.; Khan, I.A.; Wedge, D.E.,
Gas chromatographic-mass spectrometric analysis of essential oils from Pimpinella species gathered from Central and Northern Turkey,
J. Chromatogr. A, 2006, 1117, 2, 194-205, https://doi.org/10.1016/j.chroma.2006.03.075
. [all data]
Tabanca, Demirci, et al., 2005
Tabanca, N.; Demirci, B.; Kirimer, N.; Baser, K.H.C.; Bedir, E.; Khand, I.A.; Wedge, D.E.,
Gas chromatographic-mass spectrometric analysis of essential oils from Pimpinella aurea, Pimpinella corymbosa, Pimpinella peregrina and Pimpinella puberula gathered from Eastern and Southern Turkey,
J. Chromatogr. A, 2005, 1097, 1-2, 192-198, https://doi.org/10.1016/j.chroma.2005.10.047
. [all data]
Bagci, Baser, et al., 1999
Bagci, E.; Baser, K.H.C.; Kürkcüoglu, M.; Babac, T.; Celik, S.,
Study of the essential oil composition of two subspecies of Abies cilicica (Ant. et Kotschy) Carr. from Turkey,
Flavour Fragr. J., 1999, 14, 1, 47-49, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<47::AID-FFJ782>3.0.CO;2-R
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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