Patchoulene

Formula: C₁₅H₂₄
Molecular weight: 204.3511
IUPAC Standard InChI: InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,15+/m0/s1
IUPAC Standard InChIKey: CSKINCSXMLCMAR-FIXISWKDSA-N
CAS Registry Number: 1405-16-9
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:
- 4,7-Methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-, [1S-(1α,4α,7α)]-
- β-patchoulene isomer
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
- Mass spectrum (electron ionization)
Options:
- Switch to SI units

Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Active phase	I	Reference	Comment
Capillary	PTE-5	1440.	Gudzic, Dordevic, et al., 2001	60. m/0.32 mm/0.39 μm, H2, 4.3 K/min; T_start: 60. C; T_end: 285. C

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1888.	Osorio, Alarcon, et al., 2006	30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min

Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1485.	Xu, Tang, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 220. C @ 2. min
Capillary	HP-5	1467.	Wang, Yang, et al., 2006	30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 10. K/min, 250. C @ 10. min
Capillary	CBP-1	1466.	Ly, Yamauchi, et al., 2001	25. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 2. min, 3. K/min; T_end: 210. C
Capillary	HP-5	1484.	Larsen and Frisvad, 1995	35. C @ 2. min, 6. K/min; T_end: 200. C

Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1467.	Xu, Tang, et al., 2010	30. m/0.25 mm/0.25 μm, Helium; Program: not specified

Column type	Active phase	I	Reference	Comment
Capillary	RTX-Wax	1793.	Galindo-Cuspinera, Lubran, et al., 2002	60. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 5. K/min, 180. C @ 20. min

Go To: Top, Gas Chromatography, Notes

Gudzic, Dordevic, et al., 2001
Gudzic, B.; Dordevic, S.; Palic, R.; Stojanovic, G., Essential oils of Hypericum olympicum L. and Hypericum perforatum L., Flavour Fragr. J., 2001, 16, 3, 201-203, https://doi.org/10.1002/ffj.978 . [all data]

Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C., Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.), J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c . [all data]

Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y., Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods, Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h . [all data]

Wang, Yang, et al., 2006
Wang, Q.; Yang, Y.; Zhao, X.; Zhu, B.; Nan, P.; Zhao, J.; Wang, L.; Chen, F.; Liu, Z.; Zhong, Y., Chemical variation in the essential oil of Ephedra sinica from Northeastern China, Food Chem., 2006, 98, 1, 52-58, https://doi.org/10.1016/j.foodchem.2005.04.033 . [all data]

Ly, Yamauchi, et al., 2001
Ly, T.N.; Yamauchi, R.; KAto, K., Volatile components of the essential oils in Galanga (Alpina officinarum Hance) from Vietnam, Food Sci. Technol. Res., 2001, 7, 4, 303-306, https://doi.org/10.3136/fstr.7.303 . [all data]

Larsen and Frisvad, 1995
Larsen, T.O.; Frisvad, J.C., Characterization of volatile metabolites from 47 Penicillium taxa, Mycol. Res., 1995, 99, 10, 1153-1166, https://doi.org/10.1016/S0953-7562(09)80271-2 . [all data]

Galindo-Cuspinera, Lubran, et al., 2002
Galindo-Cuspinera, V.; Lubran, M.B.; Rankin, S.A., Comparison of volatile compounds in water- and oil-soluble annatto (Bixa orellana L.) extracts, J. Agric. Food Chem., 2002, 50, 7, 2010-2015, https://doi.org/10.1021/jf011325h . [all data]

Go To: Top, Gas Chromatography, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.