cis-Pinene hydrate
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChI: InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1
- IUPAC Standard InChIKey: YYWZKGZIIKPPJZ-WEDXCCLWSA-N
- CAS Registry Number: 4948-28-1
- 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: (Z)-Pinene hydrate; Pinene hydrate, cis; cis-2-Pinanol; (1α,2α,5α)-2,2,6-trimethylbicyclo[3.1.1]heptan-2-ol
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- Information on this page:
- Other data available:
- Options:
Normal alkane 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 | BPX-5 | SE-30 | CP Sil 8 CB | AT-5 | Polydimethyl siloxanes |
| Column length (m) | 30. | 50. | 60. | ||
| Carrier gas | H2 | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | ||
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Program | 50 0C (1 min) 3 0C/min -> 150 0C 5 0C/min -> 250 0C (5 min) | not specified | 70C(5min) => 3C/min => 100C (1min) => 25C/min => 250C (10min) | 50 0C 5 0C/min -> 135 0C (1 min) 5 0C/min -> 225 0C (5 min) 5 0C/min -> 260 0C | not specified |
| I | 1144. | 1130. | 1121. | 1121. | 1131. |
| Reference | Koba, Sanda, et al., 2004 | Vinogradov, 2004 | Mockute and Judzentiene, 2003 | Usai, Atzei, et al., 2003 | Zenkevich, 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Koba, Sanda, et al., 2004
Koba, K.; Sanda, K.; Raynaud, C.; Nenonene, Y.A.; Millet, J.; Chaumont, J.P.,
Activités antimicrobiennes d'huiles essentielles de trois Cymbopogon sp. africains vis-àvis de germes pathogènes d'animaux de compagnie,
Ann. Med. Vet., 2004, 148, 202-206. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Mockute and Judzentiene, 2003
Mockute, D.; Judzentiene, A.,
The myrtenol chemotype of essential oil of Tanacetum vulgare L. var. vulgare (tansy) growing wild in the Vilnius region,
Chemija, 2003, 14, 2, 103-107. [all data]
Usai, Atzei, et al., 2003
Usai, M.; Atzei, A.; Pintore, G.; Casanova, I.,
Composition and variability of the essential oil of Sardinian Thymus herba-barona Loisel,
Flavour Fragr. J., 2003, 18, 1, 21-25, https://doi.org/10.1002/ffj.1137
. [all data]
Zenkevich, 1997
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons,
Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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