Azulene, 1,4-dimethyl-7-(1-methylethyl)-

• Formula: C₁₅H₁₈
• Molecular weight: 198.3034
• IUPAC Standard InChI: InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3 Copy

  
• IUPAC Standard InChIKey: FWKQNCXZGNBPFD-UHFFFAOYSA-N Copy
• CAS Registry Number: 489-84-9
• 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.
• Other names: Azulene, 7-isopropyl-1,4-dimethyl-; Azulen-Beris; Azulol; Azulon; Azunol; Cuteazul; Eucazulen; Guaiazulene; Gurjunazulen; Kessazulen; Purazulen; S-Guaiazulene; Silazulon; Uroazulen; Vetivazulen; 1,4-Dimethyl-7-isopropylazulene; 3,8-Dimethyl-5-(2-propyl)azulene; 7-Isopropyl-1,4-dimethylazulene; 1,4-Dimethyl-7-(1-methylethyl)azulene; Azulene, 1,4-dimethyl-7-isopropyl-; Guajazulene; Guiazulene; AZ-8; AZ-8 beris; Vaumigan; NSC 4714; 1,4-dimethyl-7-(1-methyl)-azulene (azulon)
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• Information on this page:
  • Condensed phase thermochemistry data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • Gas phase ion energetics data
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Condensed phase thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

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

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

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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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References

Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes

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

Kovats, Gunthard, et al., 1955
Kovats, E.; Gunthard, Hs.H.; Plattner, Pl.A., Thermische eigenschaften von azulenen, Helv. Chim. Acta, 1955, 38, 1912-1919. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Perrottet, Taub, et al., 1940
Perrottet, E.; Taub, W.; Briner, E., Sur etats energetiques comparatifs des noyaux azulenique et naphtalenique, Helv. Chim. Acta, 1940, 23, 1260-1268. [all data]

Hagen, et al., 1968
Hagen, R., et al., Helv. Chim. Acta, 1968, 51, 45. [all data]

Lazari, Skaltsa, et al., 2000
Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T., Volatile constituents of Centaurea pelia DC., C. thessala Hausskn. subsp. drakiensis (Freyn Sint.) Georg. and C. zuccariniana DC. from Greece, Flavour Fragr. J., 2000, 15, 1, 7-11, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<7::AID-FFJ860>3.0.CO;2-3 . [all data]

Pripdeevech and Saansoomchai, 2013
Pripdeevech, P.; Saansoomchai, J., Antibacterial activity and chemical composition of essential oil and various extracts of Fagraea fragrans Roxb. flowers, Chiang Mai J. Sci., 2013, 40, 2, 214-223. [all data]

Jian-Yu, Zhu, et al., 2012
Jian-Yu, S.; Zhu, L.; Tian, Y.-J., Chemical composition and antimicrobial activities of essential oil of Matricaria songarica, Int. J. Agriculture Biology, 2012, 14, 1, 107-110. [all data]

Maia, Zoghbi, et al., 2002
Maia, J.G.S.; Zoghbi, M.G.B.; Andrade, E.H.A.; da Silva, M.H.L.; Luz, A.I.R.; da Silva, J.D., Essential oils composition of Eupatorium species growing wild in the Amazon, Biochem. Syst. Ecol., 2002, 30, 11, 1071-1077, https://doi.org/10.1016/S0305-1978(02)00059-5 . [all data]

Nogueira, Marcelo-Curto, et al., 2008
Nogueira, T.; Marcelo-Curto, M.J.; Cristina Figueiredo, A.; Barroso, J.G.; Pedro, L.G.; Rubiolo, P.; Bicchi, C., Chemotaxonomy of Hypericum genus from Portugal: Geographical distribution and essential oils composition of Hypericum perfoliatum, Hypericum humifusum, Hypericum linarifolium and Hypericum pulchrum, Biochem. Syst. Ecol., 2008, 36, 1, 40-50, https://doi.org/10.1016/j.bse.2007.07.004 . [all data]

Notes

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• Symbols used in this document:
  

  ΔcH°solid

  Enthalpy of combustion of solid at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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