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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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 | DB-5 | 1143. | Medina, Lucero, et al., 2005 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 255. C |
| Capillary | DB-5 | 1127. | Loayza, Abujder, et al., 1995 | 40. C @ 2. min, 2. K/min, 210. C @ 120. min; Column length: 30. m |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1103. | Khan, Verma, et al., 2006 | 30. m/0.32 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C (5min) => 3C/min => 245C(5min) |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RSL-200 | 1149. | Ngassoum, Ousmaila, et al., 2004 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
| Capillary | HP-5 | 1123. | Aligiannis, Kalpoutzakis, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 280. C |
| Capillary | HP-5 | 1120. | Couladis, Tsortanidou, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 380. C |
| Capillary | DB-1 | 1103. | Muselli, Hoi, et al., 1999 | 30. m/0.25 mm/0.25 μm, 50. C @ 3. min, 3. K/min; Tend: 220. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-52 | 1119. | Frizzo, Lorenzo, et al., 2004 | 25. m/0.32 mm/0.43 μm, H2; Program: 60C(8min) => 3C/min => 180C => 20C/min => 250C(10min) |
| Capillary | SE-52 | 1120. | Loayza, de Groot, et al., 1999 | 25. m/0.25 mm/0.25 μm, He; Program: 60 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 230 0C |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1432. | Loayza, de Groot, et al., 1999 | 25. m/0.32 mm/0.25 μm, H2; Program: 40 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 230 0C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1139. | Adams, Beauchamp, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 10. min, 3. K/min, 230. C @ 10. min |
| Capillary | DB-5 | 1114. | Tiwary, Nail, et al., 2007 | Helium, 2. K/min, 200. C @ 20. min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C |
| Capillary | DB-5 | 1121. | Tiwary, Nail, et al., 2007 | Helium, 2. K/min, 200. C @ 20. min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C |
| Capillary | DB-5 | 1121. | Sefidkon and Jamzad, 2005 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 40. C; Tend: 240. C |
| Capillary | CP Sil 5 CB | 1103. | Kanjilal, Kotoky, et al., 2003 | 25. m/0.25 mm/0.25 μm, He, 35. C @ 2.5 min, 5. K/min; Tend: 280. C |
| Capillary | DB-5 | 1121. | Bos, Koulman, et al., 2002 | 30. m/0.249 mm/0.25 μm, He, 3. K/min, 300. C @ 5. min; Tstart: 60. C |
| Capillary | DB-1 | 1121. | Koulman, 1999 | 25. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 290. C |
| Capillary | DB-5 | 1120. | Maia, Zohhbi, et al., 1998 | 30. m/0.25 mm/0.25 μm, He, 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 | BPX-5 | 1144. | Koba, Sanda, et al., 2004 | 30. m/0.25 mm/0.25 μm, H2; Program: 50 0C (1 min) 3 0C/min -> 150 0C 5 0C/min -> 250 0C (5 min) |
| Capillary | SE-30 | 1130. | Vinogradov, 2004 | Program: not specified |
| Capillary | CP Sil 8 CB | 1121. | Mockute and Judzentiene, 2003 | 50. m/0.32 mm/0.25 μm, He; Program: 70C(5min) => 3C/min => 100C (1min) => 25C/min => 250C (10min) |
| Capillary | AT-5 | 1121. | Usai, Atzei, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 50 0C 5 0C/min -> 135 0C (1 min) 5 0C/min -> 225 0C (5 min) 5 0C/min -> 260 0C |
| Capillary | Polydimethyl siloxanes | 1131. | Zenkevich, 1997 | 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.
Medina, Lucero, et al., 2005
Medina, A.L.; Lucero, M.E.; Holguin, F.O.; Estell, R.E.; Posakony, J.J.; Simon, J.; O'Connell, M.A.,
Composition and antimicrobial activity of Anemopsis californica leaf oil,
J. Agric. Food Chem., 2005, 53, 22, 8694-8698, https://doi.org/10.1021/jf0511244
. [all data]
Loayza, Abujder, et al., 1995
Loayza, I.; Abujder, D.; Aranda, R.; Jakupovic, J.; Collin, G.; Deslauriers, H.; Jean, F.-I.,
Essential oils of Baccharis salicifolia, B. latifolia and B. dracunculifolia,
Phytochemistry, 1995, 38, 2, 381-389, https://doi.org/10.1016/0031-9422(94)00628-7
. [all data]
Khan, Verma, et al., 2006
Khan, M.; Verma, S.C.; Srivastava, S.K.; Shawl, A.S.; Syamsundar, K.V.; Khanuja, S.P.S.; Kumar, T.,
Essential oil composition of Taxus wallichiana Zucc. from the Northern Himalayan region of India,
Flavour Fragr. J., 2006, 21, 5, 772-775, https://doi.org/10.1002/ffj.1682
. [all data]
Ngassoum, Ousmaila, et al., 2004
Ngassoum, M.B.; Ousmaila, H.; Ngamo, L.T.; Maponmetsem, P.M.; Jirovetz, L.; Buchbauer, G.,
Aroma compounds of essential oils of two varieties of the spice plant Ocimum canum Sims from northern Cameroon,
J. Food Comp. Anal., 2004, 17, 2, 197-204, https://doi.org/10.1016/j.jfca.2003.08.002
. [all data]
Aligiannis, Kalpoutzakis, et al., 2001
Aligiannis, N.; Kalpoutzakis, E.; Mitaku, S.; Chinou, I.B.,
Composition and antimicrobial activity of the essential oils of two Origanum species,
J. Agric. Food Chem., 2001, 49, 9, 4168-4170, https://doi.org/10.1021/jf001494m
. [all data]
Couladis, Tsortanidou, et al., 2001
Couladis, M.; Tsortanidou, V.; Francisco-Ortega, J.; Santos-Guerra, A.; Harvala, C.,
Composition of the essential oils of Argyranthemum species growing in the Canary Islands,
Flavour Fragr. J., 2001, 16, 2, 103-106, https://doi.org/10.1002/ffj.954
. [all data]
Muselli, Hoi, et al., 1999
Muselli, A.; Hoi, T.M.; Cu, L.D.; Moi, L.D.; Bessière, J.-M.; Bighelli, A.; Casanova, J.,
Composition of the essential oil of Acanthopanax trifoliatus (L.) Merr. (Araliacaea) from Vietnam,
Flavour Fragr. J., 1999, 14, 1, 41-44, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<41::AID-FFJ781>3.0.CO;2-B
. [all data]
Frizzo, Lorenzo, et al., 2004
Frizzo, C.D.; Lorenzo, D.; Dellacassa, E.,
Composition and seasonal variation of the essential oils from two mandarin cultivars of Southern Brazil,
J. Agric. Food Chem., 2004, 52, 10, 3036-3041, https://doi.org/10.1021/jf030685x
. [all data]
Loayza, de Groot, et al., 1999
Loayza, I.; de Groot, W.; Lorenzo, D.; Dellacassa, E.; Mondello, L.; Dugo, G.,
Composition of the essential oil of Porophyllum ruderale (Jacq.) Cass. from Bolivia,
Flavour Fragr. J., 1999, 14, 6, 393-398, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<393::AID-FFJ849>3.0.CO;2-5
. [all data]
Adams, Beauchamp, et al., 2007
Adams, R.P.; Beauchamp, P.S.; Dev, V.; Dutz, S.M.,
New Natural Products Isolated from One-Seeded Juniperus of the Southwestern United States: Isolation and Occurence of 2-Ethenyl-3-methyl Phanol and Its Derivatives,
J. Essent. Oil Res., 2007, 19, 2, 146-152, https://doi.org/10.1080/10412905.2007.9699247
. [all data]
Tiwary, Nail, et al., 2007
Tiwary, M.; Nail, S.N.; Tewary, D.K.; Mittal, P.K.; Yadav, S.,
Chemical composition and larvicidal activities of the essential oil of Zanthoxylum armatum DC (Rutaceae) against three mosquito vectors,
J. Vect. Borne Dis., 2007, 44, 9, 198-204. [all data]
Sefidkon and Jamzad, 2005
Sefidkon, F.; Jamzad, Z.,
Chemical composition of the essential oil of three Iranian Satureja species (S. mutica, S. macrantha and S. intermedia),
Food Chem., 2005, 91, 1, 1-4, https://doi.org/10.1016/j.foodchem.2004.01.027
. [all data]
Kanjilal, Kotoky, et al., 2003
Kanjilal, P.B.; Kotoky, R.; Singh, R.S.,
Chemical composition of the leaf oil of Altingia excelsa Nornha,
Flavour Fragr. J., 2003, 18, 5, 449-450, https://doi.org/10.1002/ffj.1250
. [all data]
Bos, Koulman, et al., 2002
Bos, R.; Koulman, A.; Woerdenbag, H.J.; Quax, W.J.; Pras, N.,
Volatile components from Anthriscus sylvestris (L.) Hoffm.,
J. Chromatogr. A, 2002, 966, 1-2, 233-238, https://doi.org/10.1016/S0021-9673(02)00704-5
. [all data]
Koulman, 1999
Koulman, A.,
Podophyllotoxin: a study of biosynthesis, evolution, function, and use of podophyllotoxin and related lignans, University Library Groningen, Nederlands, 1999, 188, retrieved from http://www.ub.rug.nl/eldoc/dis/science/a.koulman/. [all data]
Maia, Zohhbi, et al., 1998
Maia, J.G.S.; Zohhbi, M.G.B.; Andrade, E.H.A.; Santos, A.S.; da Silva, M.H.L.; Luz, A.I.R.; Bastos, C.N.,
Constituents of the essential oil of Piper aduncum L. growing wild in the Amazon region,
Flavour Fragr. J., 1998, 13, 4, 269-272, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<269::AID-FFJ744>3.0.CO;2-A
. [all data]
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, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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