Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-, [1S-(1α,3α,5α)]-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3/t7?,8?,9-/m0/s1
- IUPAC Standard InChIKey: LCYXQUJDODZYIJ-HACHORDNSA-N
- CAS Registry Number: 547-61-5
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: (1S,3R,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol; 2(10)-Pinen-3-ol, (1S,3R,5S)-(-)-; L-trans-Pinocarveol; L-Pinocarveol; trans-(-)-Pinocarveol; Pinocarveol, trans-(-)-; 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol-, [1S-(1α,3α,5α)]-; (-)-trans-Pinocarveol; (E)-Pinocarveol, (-)-; trans-Pinocarveol; (E)-Pinocarveol; trans-Pinocarveole; [1S-(1α,3α,5α)]-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol
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Van Den Dool and Kratz RI, non-polar column, custom temperature program
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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 | DB-5 | 5 % Phenyl methyl siloxane | CP Sil 8 CB | CBP-5 | BP-1 |
| Column length (m) | 30. | 50. | 50. | 50. | |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.22 | |
| Phase thickness (μm) | 0.15 | 0.25 | 0.25 | ||
| Program | not specified | 45C => 1C/min => 100C => 5C/min => 250C (10min) | 60C (2min) => 5C/min => 160C (1min) => 10C/min => 250C (2min) | 60C(2min) => 3C/min => 240C => 10C/min => 280C(10min) | not specified |
| I | 1139. | 1139. | 1139. | 1132. | 1125. |
| Reference | Özel, Gögüs, et al., 2006 | Sacchetti, Maietti, et al., 2005 | Mockute and Judzentiene, 2003 | Azevedo, Campos, et al., 2002 | Cavalli, Ranarivelo, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | SE-52 |
| Column length (m) | 25. |
| Carrier gas | H2 |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | 0.40 |
| Program | 60 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 250 0C (10 min) |
| I | 1132. |
| Reference | Lorenzo, Dellacassa, et al., 2001 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Özel, Gögüs, et al., 2006
Özel, M.Z.; Gögüs, F.; Lewis, A.C.,
Determination of Teucrium chamaedrys volatiles by using direct thermal desorption-comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry,
J. Chromatogr. A, 2006, 1114, 1, 164-169, https://doi.org/10.1016/j.chroma.2006.02.036
. [all data]
Sacchetti, Maietti, et al., 2005
Sacchetti, G.; Maietti, S.; Muzzoli, M.; Scaglianti, M.; Manfredini, S.; Radice, M.; Bruni, R.,
Comparative evaluation of 11 essential oils of different origin as functional antioxidants, antiradicals and antimicrobials in foods,
Food Chem., 2005, 91, 4, 621-632, https://doi.org/10.1016/j.foodchem.2004.06.031
. [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]
Azevedo, Campos, et al., 2002
Azevedo, N.R.; Campos, I.F.P.; Ferreira, H.D.; Portes, T.A.; Seraphin, J.C.; de Paula, J.R.; Santos, S.C.; Ferri, P.H.,
Essential oil chemotypes in Hyptis suaveolens from Brazilian Cerrado,
Biochem. Syst. Ecol., 2002, 30, 3, 205-216, https://doi.org/10.1016/S0305-1978(01)00075-8
. [all data]
Cavalli, Ranarivelo, et al., 2001
Cavalli, J.-F.; Ranarivelo, L.; Ratsimbason, M.; Bernardini, A.-F.; Casanova, J.,
Constituents of the essential oil of six Helichrysum species from Madagascar,
Flavour Fragr. J., 2001, 16, 4, 253-256, https://doi.org/10.1002/ffj.994
. [all data]
Lorenzo, Dellacassa, et al., 2001
Lorenzo, D.; Dellacassa, E.; Bonaccorsi, I.; Mondello, L.,
Uruguayan essential oils. Composition of leaf oil of Myrcianthes cisplatensis (Camb.) Berg. ('Guayabo colorado') (Myrtaceae),
Flavour Fragr. J., 2001, 16, 2, 97-99, https://doi.org/10.1002/1099-1026(200103/04)16:2<97::AID-FFJ952>3.0.CO;2-C
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
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