Cedrene

Formula: C₁₅H₂₄
Molecular weight: 204.3511
IUPAC Standard InChI: InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h11-13H,1,5-9H2,2-4H3
IUPAC Standard InChIKey: DYLPEFGBWGEFBB-UHFFFAOYSA-N
CAS Registry Number: 11028-42-5
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
- (3R,3aR,7R,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene
Stereoisomers:
Other names: 1,7-di-epi-α-Cedrene; Cedr-8(15)-ene; Cedrene <1,7-di-epi-α>; 1H-3α,7-Methanoazulene,octahydro-3,8,8-trimethyl-6-6methylene
Information on this page:
Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	DB-Petro	1415.1	Pang T., Zhu S., et al., 2007	50. m/0.2 mm/0.5 μm, 2. K/min; T_start: 50. C; T_end: 270. C
Capillary	DB-Petro	1415.1	Pang T., Zhu S., et al., 2007	50. m/0.2 mm/0.5 μm, 2. K/min; T_start: 50. C; T_end: 270. C
Capillary	HP-5	1397.	Sartoratto, Machado, et al., 2004	25. m/0.2 mm/0.33 μm, He, 3. K/min, 240. C @ 7. min; T_start: 60. C
Capillary	HP-5MS	1449.	Shang, Hu, et al., 2002	30. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min, 250. C @ 5. min

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1433.	Yousefzadi, Heidari, et al., 2011	Nitrogen, 60. C @ 1. min, 4. K/min, 250. C @ 10. min; Column length: 30. m; Column diameter: 0.25 mm
Capillary	ZB-5 MS	1411.	Boix, Victorio, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 5. K/min; T_start: 60. C; T_end: 290. C
Capillary	OV-1	1406.	Hu, Liang, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 5. K/min, 250. C @ 2. min
Capillary	DB-1	1393.	Pala-Paul J., Perez-Alonso M.J., et al., 2006	50. m/0.25 mm/0.25 μm, N2, 4. K/min; T_start: 95. C; T_end: 240. C
Capillary	DB-5MS	1380.	Marongiu, Piras, et al., 2005	30. m/0.25 mm/0.25 μm, He, 60. C @ 30. min, 3. K/min; T_end: 280. C
Capillary	HP-5MS	1399.	Slavkovska, Couladis, et al., 2005	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 280. C
Capillary	DB-5MS	1373.	Marongiu, Porcedda, et al., 2004	30. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 30. min; T_start: 60. C
Capillary	HP-5	1381.	Pitarokili, Tzakou, et al., 2003	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 280. C
Capillary	HP-5	1446.	Benevides, Young, et al., 2002	30. m/0.20 mm/0.33 μm, 3. K/min, 290. C @ 10. min; T_start: 60. C
Capillary	DB-1	1382.	Palá-Paúl, Pérez-Alonso, et al., 2002	50. m/0.25 mm/0.25 μm, N2, 4. K/min; T_start: 80. C; T_end: 225. C
Capillary	HP-5 MS	1449.	Shang, Hu, et al., 2001	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 5. K/min, 250. C @ 5. min

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1413.	Nezhadali and Parsa, 2010	30. m/0.20 mm/0.32 μm, Helium; Program: 60 0C (1 min) 3 0C/min -> 140 0C 50 0C/min -> 250 0C (3 min)
Capillary	HP-5MS	1422.	Deng, Li, et al., 2004	30. m/0.25 mm/0.25 μm, He; Program: 60C => 10C/min => 160C => 12C/min => 300C (5min)
Capillary	OV-1	1378.	Hafez and Abdel-Salam, 2004	30. m/0.25 mm/0.25 μm, He; Program: 45 0C (4 min) 3 0C/min -> 75 0C 4 0C/min -> 115 0C 6 0C/min -> 312 0C
Capillary	HP-5 MS	1446.	Shang, Hu, et al., 2001	30. m/0.25 mm/0.25 μm, Helium; Program: not specified

References

Go To: Top, Gas Chromatography, Notes

Pang T., Zhu S., et al., 2007
Pang T.; Zhu S.; Lu X.; Xu G., Identification of unknown compounds on the basis of retention index data in comprehensive two-dimensional gas chromatography, J. Sep. Sci., 2007, 30, 6, 868-874, https://doi.org/10.1002/jssc.200600471 . [all data]

Sartoratto, Machado, et al., 2004
Sartoratto, A.; Machado, A.L.M.; Delarmelina, C.; Figueira, G.M.; Duarte, M.C.T.; Rehder, V.L.G., Composition and antimicrobial activity of essential oils from aromatic plants used in Brazil, Braz. J. Microbiol., 2004, 35, 4, 275-280, https://doi.org/10.1590/S1517-83822004000300001 . [all data]

Shang, Hu, et al., 2002
Shang, C.; Hu, Y.; Deng, C.; Hu, K., Rapid determination of volatile constituents of Michelia alba flowers by gas chromatography-mass spectrometry with solid-phase microextraction, J. Chromatogr. A, 2002, 942, 1-2, 283-288, https://doi.org/10.1016/S0021-9673(01)01382-6 . [all data]

Yousefzadi, Heidari, et al., 2011
Yousefzadi, M.; Heidari, M.; Akbarpour, M.; Mirjalili, M.H.; Zainali, A.; Parsa, M., in vitro cytotoxic activity of the essential oil of Dorema ammoniacum D. Don., Middle-East J. Sci. Res., 2011, 7, 4, 511-514. [all data]

Boix, Victorio, et al., 2010
Boix, V.F.; Victorio, C.P.; Lage, C.L.S.; Kuster, R.M., Volatile compounds from Rosmarinus officinalis L. and Baccharis dracunculifolia DC. growing in Southeast coast of Brasil, Quim. Nova, 2010, 33, 2, 255-257, https://doi.org/10.1590/S0100-40422010000200004 . [all data]

Hu, Liang, et al., 2010
Hu, C.-D.; Liang, Y.-Z.; Guo, F.-Q.; Li, X.-R.; Wang, W.-P., Determination of essential oil composition from Osmanthus fragrans tea by GC-MS combined with a chemometric resolution method, Molecules, 2010, 15, 5, 3683-3693, https://doi.org/10.3390/molecules15053683 . [all data]

Pala-Paul J., Perez-Alonso M.J., et al., 2006
Pala-Paul J.; Perez-Alonso M.J.; Velasco-Negueruela A.; Ballesteros M.T.; Sanz J., Essential oil composition of Sideritis hirsuta L. from Guadalajara Province, Spain, Flavour Fragr. J., 2006, 21, 3, 410-415, https://doi.org/10.1002/ffj.1727 . [all data]

Marongiu, Piras, et al., 2005
Marongiu, B.; Piras, A.; Porcedda, S.; Scorciapino, A., Chemical composition of the essential oil and supercritical CO₂ extract of Commiphora myrrha (Nees) Engl. and of Acorus calamus L., J. Agric. Food Chem., 2005, 53, 20, 7939-7943, https://doi.org/10.1021/jf051100x . [all data]

Slavkovska, Couladis, et al., 2005
Slavkovska, V.; Couladis, M.; Bojovic, S.; Tzakou, O.; Pavlovic, M.; Lakusic, B.; Jancic, R., Essential oil and its systematic significance in species of Micromeria Bentham from Serbia Montenegro, Plant Systematics and Evolution, 2005, 255, 1-2, 1-15, https://doi.org/10.1007/s00606-005-0303-y . [all data]

Marongiu, Porcedda, et al., 2004
Marongiu, B.; Porcedda, A.P.S.; Casu, R.; Pierucci, P., Chemical composition of the oil and supercritical CO₂ extract of Schinus molle L., Flavour Fragr. J., 2004, 19, 6, 554-558, https://doi.org/10.1002/ffj.1350 . [all data]

Pitarokili, Tzakou, et al., 2003
Pitarokili, D.; Tzakou, O.; Loukis, A.; Harvala, C., Volatile metabolites from Salvia fruticosa as antifungal agents in soilborne pathogens, J. Agric. Food Chem., 2003, 51, 11, 3294-3301, https://doi.org/10.1021/jf0211534 . [all data]

Benevides, Young, et al., 2002
Benevides, P.J.C.; Young, M.C.M.; Bolzani, V.S., Composição química e atevidade antifúngica do óleo essencial de psychotria spectabillis L. (Rubiaceae), 2002, retrieved from http://www.sbq.org.br/ranteriores/23/resumos/0131. [all data]

Palá-Paúl, Pérez-Alonso, et al., 2002
Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Sanz, J., Analysis by gas chromatography-mass spectrometry of the volatile components of Ageratina adenophora Spreng., growing in the Canary Islands, J. Chromatogr. A, 2002, 947, 2, 327-331, https://doi.org/10.1016/S0021-9673(02)00016-X . [all data]

Shang, Hu, et al., 2001
Shang, C.; Hu, Y.; Deng, C.; Hu, K., Rapid determination of volatile constituents of Michelia alba flowers by gas chromatography - mass spectrometry with solid-phase microextraction, J. Chromatogr. A, 2001, 942, 1-2, 283-288, https://doi.org/10.1016/S0021-9673(01)01382-6 . [all data]

Nezhadali and Parsa, 2010
Nezhadali, A.; Parsa, M., Study of the volatile compounds in Artemisia Sagebrush from Iran using HS/SPME/GC/MS, Int. J. Environ. Sci. Development, 2010, 1, 3, 287-289, https://doi.org/10.7763/IJESD.2010.V1.56 . [all data]

Deng, Li, et al., 2004
Deng, C.; Li, N.; Zhang, X., Rapid determination of essential oil in Acorus tatarinowii Schott. by pressurized hot water extraction followed by solid-phase microextraction and gas chromatography-mass spectrometry, J. Chromatogr. A, 2004, 1059, 1-2, 149-155, https://doi.org/10.1016/j.chroma.2004.10.005 . [all data]

Hafez and Abdel-Salam, 2004
Hafez, S.S.; Abdel-Salam, H.A., chemical composition and antimicrobial activity of the volatile constituents of thuja occidentalis L. growing in Egipt, Alexandria J. Pharm. Sci., 2004, 18, 1, 41-47. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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