trans-Cadina-1,4-diene

Formula: C₁₅H₂₄
Molecular weight: 204.3511
IUPAC Standard InChI: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h7,9-10,12-13,15H,5-6,8H2,1-4H3/t12-,13+,15?/m1/s1
IUPAC Standard InChIKey: JUQGWBAOQUBVFP-NEJHNUGDSA-N
CAS Registry Number: 38758-02-0
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: trans-Cadina-1(2),4-diene; cadina-1(2)4-diene trans; E-Cadina-1,4-diene
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Gas Chromatography

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	HP-5MS	1527.	Hazzit, Baaliouamer, et al., 2006	30. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 280. C @ 30. min
Capillary	DB-5	1532.	Adams and Nguyen, 2005	30. m/0.26 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 246. C
Capillary	HP-5MS	1537.	Asuming, Beauchamp, et al., 2005	30. m/0.25 mm/0.25 μm, He, 50. C @ 10. min, 3. K/min, 250. C @ 5. min
Capillary	SE-54	1532.	Adams, 2000	30. m/0.26 mm/0.25 μm, 3. K/min; T_start: 60. C; T_end: 246. C
Capillary	DB-5	1532.	Adams, 2000, 2	30. m/0.26 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 246. C
Capillary	DB-5	1532.	Adams, 1999	30. m/0.26 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 246. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1535.	Su, Ho, et al., 2006	30. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min; T_end: 250. C
Capillary	DB-5	1535.	Su, Ho, et al., 2006, 2	30. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min; T_end: 250. C
Capillary	HP-5MS	1535.	Karioti, Hadjipavlou-Litina, et al., 2004	30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; T_end: 280. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1536.	Andrade, Sampaio, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 4C/min => 220C => 20C/min => 280C
Capillary	BPX-5	1538.	Cardeal, da Silva, et al., 2006	30. m/0.25 mm/0.25 μm; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min)
Capillary	SE-52	1535.	Bruni, Pellati, et al., 2005	30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C(10min)
Capillary	5 % Phenyl methyl siloxane	1535.	Sacchetti, Maietti, et al., 2005	30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min)

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5	1540.	Radulovic, Dordevic, et al., 2010	30. m/0.25 mm/0.25 μm, Hydrogen, 5. K/min; T_start: 70. C; T_end: 290. C
Capillary	DB-1-MS	1516.	Takeoka, Hobbs, et al., 2010	60. m/0.25 mm/0.25 μm, Helium, 30. C @ 4. min, 2. K/min, 200. C @ 35. min
Capillary	5 % Phenyl methyl siloxane	1535.	Retta, Gattuso, et al., 2009	60. m/0.25 mm/0.25 μm, Helium, 3. K/min, 225. C @ 3. min; T_start: 90. C
Capillary	SLB-5 MS	1535.	Lo Presti, Sciarrone, et al., 2008	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 3. K/min, 250. C @ 10. min
Capillary	HP-5 MS	1532.	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	HP-5MS	1548.	Argyropoulou, Daferera, et al., 2007	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	DB-5	1537.	Morteza-Semnani K., Saeedi M., et al., 2006	30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; T_end: 220. C
Capillary	DB-5	1532.	Chaverri and Cicció, 2005	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	DB-5	1537.	Chaverri and Cicció, 2005	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	DB-5	1537.	Morteza-Semnani and Saeedi, 2005	30. m/0.25 mm/0.25 μm, He, 60. C @ 4. min, 4. K/min; T_end: 220. C
Capillary	5 % Phenyl methyl siloxane	1535.	Cicció and Gómez-Laurito, 2002	30. m/0.25 mm/0.25 μm, He, 75. C @ 4. min, 3. K/min, 200. C @ 8. min

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-1-MS	1523.	Takeoka, Hobbs, et al., 2010	60. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	DB-5	1538.	Courtois, Paine, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C
Capillary	CP Sil 8 CB	1535.	Kupcinskiene, Stikliene, et al., 2008	50. m/0.32 mm/0.25 μm, Helium; Program: not specified
Capillary	SLB-5 MS	1535.	Lo Presti, Sciarrone, et al., 2008	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	HP-5 MS	1531.	Eason and Setzer, 2007	30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C
Capillary	CP Sil 8 CB	1535.	Mockute, Bernotiene, et al., 2007	50. m/0.32 mm/0.25 μm, He; Program: 60 0C (2 min) 5 0C/min -> 160 0C 5 0C/min -> 250 0C (10 min)
Capillary	HP-5MS	1535.	Sahin, Gulluce, et al., 2004	30. m/0.25 mm/0.25 μm, He; Program: 50C(3min) => 3C/min => 150C(10min) => 10C/min => 250C

References

Go To: Top, Gas Chromatography, Notes

Hazzit, Baaliouamer, et al., 2006
Hazzit, M.; Baaliouamer, A.; Faleiro, M.L.; Miguel, M.G., Composition of the Essential Oils of Thymus and Origanum Species from Algeria and Their Antioxidant and Antimicrobial Activities, J. Agric. Food Chem., 2006, 54, 17, 6314-6321, https://doi.org/10.1021/jf0606104 . [all data]

Adams and Nguyen, 2005
Adams, R.P.; Nguyen, S., Infra-specific variation in Juniperus deppeana and F. Sperryi in the Davis Mountains of Texas: variation in leaf essential oils and random amplified polymorphic DNAS (RAPDS), Phytologia, 2005, 87, 2, 96-108. [all data]

Asuming, Beauchamp, et al., 2005
Asuming, W.A.; Beauchamp, P.S.; Descalzo, J.T.; Dev, B.C.; Dev, V.; Frost, S.; Ma, C.W., Essential oil composition of four Lomatium Raf. species and their chemotaxonomy, Biochem. Syst. Ecol., 2005, 33, 1, 17-26, https://doi.org/10.1016/j.bse.2004.06.005 . [all data]

Adams, 2000
Adams, R.P., Systematics of the one seeded Juniperus of the eastern hemisphere based on leaf essential oils and random amplified polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 6, 529-543, https://doi.org/10.1016/S0305-1978(99)00096-4 . [all data]

Adams, 2000, 2
Adams, R.P., The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 10, 975-989, https://doi.org/10.1016/S0305-1978(00)00022-3 . [all data]

Adams, 1999
Adams, R.P., Systematics of multi-seeded eastern hemisphere Juniperus based on leaf essential oils and RAPD DNA fingerprinting, Biochem. Syst. Ecol., 1999, 27, 7, 709-725, https://doi.org/10.1016/S0305-1978(99)00016-2 . [all data]

Su, Ho, et al., 2006
Su, Y.C.; Ho, C.L.; Wang, E.I.C., Analysis of leaf essential oils from the indigenous five conifers of Taiwan, Flavour Fragr. J., 2006, 21, 3, 447-452, https://doi.org/10.1002/ffj.1685 . [all data]

Su, Ho, et al., 2006, 2
Su, Y.-C.; Ho, C.-L.; Wang, E.I.-C.; Chang, S.-T., Antifungal activities and chemical compositions of essential oils from leaves of four eucalypts, Taiwan J. For. Sci., 2006, 21, 1, 49-61. [all data]

Karioti, Hadjipavlou-Litina, et al., 2004
Karioti, A.; Hadjipavlou-Litina, D.; Mensah, M.L.K.; Fleischer, T.C.; Skaltsa, H., Composition and antioxidant activity of the essential oils of Xylopia aethiopica (Dun) A. Rich. (Annonaceae) leaves, stem bark, root bark, and fresh and dried fruits, growing in Ghana, J. Agric. Food Chem., 2004, 52, 26, 8094-8098, https://doi.org/10.1021/jf040150j . [all data]

Andrade, Sampaio, et al., 2007
Andrade, M.S.; Sampaio, T.S.; Nogueira, P.C.L.; Ribeiro, A.S.; Bittrich, V.; Amaral, M.C.E., Volatile compounds of the leaves, flowers and fruits of Kielmeyera rugosa Choisy (Clusiaceae), Flavour Fragr. J., 2007, 22, 1, 49-52, https://doi.org/10.1002/ffj.1751 . [all data]

Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J., Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles, Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665 . [all data]

Bruni, Pellati, et al., 2005
Bruni, R.; Pellati, F.; Grazia Bellardi, M.; Benvenuti, S.; Paltrinieri, S.; Bertaccini, A.; Bianchi, A., Herbal drug quality and phytochemical composition of Hypericum perforatum L. affected by ash yellows phytoplasma infection, J. Agric. Food Chem., 2005, 53, 4, 964-968, https://doi.org/10.1021/jf0487654 . [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]

Radulovic, Dordevic, et al., 2010
Radulovic, N.S.; Dordevic, N.D.; Palic, R.M., Volatiles of Pleurospermum austriacum (L.) Hoffm. (Apiaceae), J. Serbian Chem. Soc., 2010, 75, 12, 1-11, https://doi.org/10.2298/JSC100323127R . [all data]

Takeoka, Hobbs, et al., 2010
Takeoka, G.R.; Hobbs, C.; Byeoung-Soo, P., Volatile constituents of the aerial parts of Salvia apiana Jepson, J. Essential Oil. Res., 2010, 22, 3, 241-244, https://doi.org/10.1080/10412905.2010.9700314 . [all data]

Retta, Gattuso, et al., 2009
Retta, D.; Gattuso, M.; Gattuso, S.; Lira, P. Di Leo; van Baren, C.; Ferraro, G.; Bandoni A., Essential oil composition of Achyrocline flaccida (Weinm.) DC. (Asteraceae) from different locations of Argentina, Biochem. Systematics Ecol., 2009, 36, 12, 877-881, https://doi.org/10.1016/j.bse.2008.11.001 . [all data]

Lo Presti, Sciarrone, et al., 2008
Lo Presti, M.; Sciarrone, D.; Crupi, M.C.; Costa, R.; Ragusa, S.; Dugo, G.; Mondello, L., Evaliation of the volatile and chiral composition in Pistacia lentiscus L. essential oil, Flavour Fragr. J., 2008, 23, 4, 249-257, https://doi.org/10.1002/ffj.1878 . [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]

Argyropoulou, Daferera, et al., 2007
Argyropoulou, C.; Daferera, D.; Tarantilis, P.A.; Fasseas, C.; Polissiou, M., Chemical composition of the essential oil from leaves of Lippia citriodora H.B.K. (Verbenaceae) at two developmental stages, Biochem. Syst. Ecol., 2007, 35, 12, 831-837, https://doi.org/10.1016/j.bse.2007.07.001 . [all data]

Morteza-Semnani K., Saeedi M., et al., 2006
Morteza-Semnani K.; Saeedi M.; Changizi S., The essential oil composition of Hypericum scabrum L. from Iran, Flavour Fragr. J., 2006, 21, 3, 513-515, https://doi.org/10.1002/ffj.1614 . [all data]

Chaverri and Cicció, 2005
Chaverri, C.; Cicció, J.F., Essential oil of trees of the genus Ocotea (Lauraceae) in Costa Rica. I. Ocotea brenesii, Rev. Biol. Trop., 2005, 53, 3-4, 431-436, https://doi.org/10.15517/rbt.v53i3-4.14611 . [all data]

Morteza-Semnani and Saeedi, 2005
Morteza-Semnani, K.; Saeedi, M., The essential oil composition of Phlomis bruguieri Desf. from Iran, Flavour Fragr. J., 2005, 20, 3, 344-346, https://doi.org/10.1002/ffj.1459 . [all data]

Cicció and Gómez-Laurito, 2002
Cicció, J.F.; Gómez-Laurito, J., Volatile constituents of the leaves of Siparuna thecaphora (Siparunaceae) from Turrialba, Costa Rica, Rev. Biol. Trop., 2002, 50, 3/4, 963-967. [all data]

Courtois, Paine, et al., 2009
Courtois, E.A.; Paine, C.E.; Blandinieres, P.-A.; Stien, D.; Bessiere, J.-M.; Houel, E.; Baraloto, C.; Chave, J., Diversity of the volatile organic compounds emitted by 55 species of tropical trees: a survey in French Guiana, J. Chem. Ecol., 2009, 35, 11, 1349-1362, https://doi.org/10.1007/s10886-009-9718-1 . [all data]

Kupcinskiene, Stikliene, et al., 2008
Kupcinskiene, E.; Stikliene, A.; Judzentiene, A., The essential oil guatitative composition in the needles of Pinus sylvestris L. growing along industrial transects, Environ. Pollution, 2008, 155, 3, 481-491, https://doi.org/10.1016/j.envpol.2008.02.001 . [all data]

Eason and Setzer, 2007
Eason, H.M.; Setzer, W.N., BArk essential oil composition of Cedrela tinduzii C. DC. (Meliaceae) from Monteverde, Costa Rica, Rec. NAt. Prod., 2007, 1, 2-3, 24-27. [all data]

Mockute, Bernotiene, et al., 2007
Mockute, D.; Bernotiene, G.; Judzentiene, A., The essential oil of Ground Ivy (Glechoma hederaceae L.) growing wild in Eastern Lithuania, J. Essent. Oil Res., 2007, 19, 5, 449-451, https://doi.org/10.1080/10412905.2007.9699948 . [all data]

Sahin, Gulluce, et al., 2004
Sahin, F.; Gulluce, M.; Daferera, D.; Sokmen, A.; Sokmen, M.; Polissiou, M.; Agar, G.; Ozer, H., Biological activities of the essential oils and methanol extract of Origanum vulgare ssp. vulgare in the Eastern Anatolia region of Turkey, Food Control, 2004, 15, 7, 549-557, https://doi.org/10.1016/j.foodcont.2003.08.009 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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