2,4,6-Octatriene, 2,6-dimethyl-

• Formula: C₁₀H₁₆
• Molecular weight: 136.2340
• IUPAC Standard InChI: InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5+ Copy

  
• IUPAC Standard InChIKey: GQVMHMFBVWSSPF-SOYUKNQTSA-N Copy
• CAS Registry Number: 673-84-7
• 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.
• Species with the same structure:
  • trans-Alloocimene
  • 2,4,6-Octatriene, 2,6-dimethyl-, (E,E)-
• Stereoisomers:
  • (4Z,6z)-2,6-dimethyl-2,4,6-octatriene
  • (4Z,6e)-2,6-dimethyl-2,4,6-octatriene
  • 2,4,6-Octatriene, 2,6-dimethyl-, (E,Z)-
  • 2,6-Dimethyl-octa-2,4,6-triene, cis
• Other names: Allo-Ocimene; 2,6-Dimethyl-2,4,6-octatriene; cis-Allo-ocimene; Ocimene, A110; Neo-allo-ocimene; Ocimene, allo-; 2,6-dimethyl-octa-2,4,6-triene; NSC 406263; (Z)-Alloocimene; neo-allo-3,7-dimethyl-1,3,6-octatriene (neo-allo-ocimene); allo-3,7-dimethyl-1,3,6-octatriene (allo-ocimene)
• Information on this page:
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Phase change data

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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: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Kovats' RI, non-polar column, temperature ramp

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Kovats' RI, polar column, isothermal

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

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

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

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

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Normal alkane RI, non-polar column, temperature ramp

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

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Normal alkane RI, polar column, temperature ramp

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Normal alkane RI, polar column, custom temperature program

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References

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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Yassa and Akhani, 2008
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Wedge, Klun, et al., 2009
Wedge, D.E.; Klun, J.A.; Tabanca, N.; Demirci, B.; Ozek, T.; Baser, K.H.C.; Liu, Z.; Zhang, S.; Cantrell, C.L.; Zhang, J., Bioactivity-guided fractionation and GC/MS fingerprinting of Amgelica sinensis and Angelica archangelica root components for antifungal and mosquito deterrent activity, J. Agric. Food Chem., 2009, 57, 2, 464-470, https://doi.org/10.1021/jf802820d . [all data]

Erdurak, Coskun, et al., 2006
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Kürkçüoglu, Hüsnü Can Baser, et al., 2006
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Tabanca, Demirci, et al., 2006
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Vichi, Guadayol, et al., 2006
Vichi, S.; Guadayol, J.M.; Caixach, J.; López-Tamames, E.; Buxaderas, S., Monoterpene and sesquiterpene hydrocarbons of virgin olive oil by headspace solid-phase microextraction coupled to gas chromatography/mass spectrometry, J. Chromatogr. A, 2006, 1125, 1, 117-123, https://doi.org/10.1016/j.chroma.2006.05.029 . [all data]

Viljoen, Subramoney, et al., 2005
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Kivcak, Akay, et al., 2004
Kivcak, B.; Akay, S.; Demirci, B.; Baser, K.H.C., Chemical composition of essential oils from leaves and twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey, Pharm. Biol, 2004, 42, 4-5, 360-366, https://doi.org/10.1080/13880200490519677 . [all data]

Demirci, Demirci, et al., 2003
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Baser, Demirei, et al., 2002
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Özcan, Akgül, et al., 2001
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Tucker, Maciarello, et al., 2001
Tucker, A.O.; Maciarello, M.J.; Alkire, B.H., Essential oil of Aeollanthus suaveolens Mart. ex Spreng. (Lamiaceae), J. Essent. Oil Res., 2001, 13, 3, 198-199, https://doi.org/10.1080/10412905.2001.9699662 . [all data]

Baser, Özek, et al., 2000
Baser, K.H.C.; Özek, T.; Demirci, B.; Duman, H., Composition of the essential oil of Glaucosciadium cordifolium (Boiss.) Burtt et Davis from Turkey, Flavour Fragr. J., 2000, 15, 1, 45-46, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<45::AID-FFJ867>3.0.CO;2-L . [all data]

Notes

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References

• Symbols used in this document:
  

  Tfus	Fusion (melting) point

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