Thymoquinone

• Formula: C₁₀H₁₂O₂
• Molecular weight: 164.2011
• IUPAC Standard InChI: InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3 Copy

  
• IUPAC Standard InChIKey: KEQHJBNSCLWCAE-UHFFFAOYSA-N Copy
• CAS Registry Number: 490-91-5
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: 2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)-; p-Mentha-3,6-diene-2,5-dione; p-Cymene-2,5-dione; Thymoquinon; 2-Isopropyl-5-methylbenzoquinone; 2,5-Cyclohexadiene-1,4-dione, 5-isopropyl-2-methyl-; 2-Isopropyl-5-methyl-1,4-benzoquinone; 2-Methyl-5-isopropyl-1,4-benzoquinone; 2-Methyl-5-isopropyl-p-benzoquinone; 5-Isopropyl-2-methyl-1,4-benzoquinone; 5-Isopropyl-2-methyl-p-benzoquinone; 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione; 2-Isopropyl-5-methyl-p-benzoquinone; NSC 2228; thymolquinone
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• Information on this page:
  • Van Den Dool and Kratz RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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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

References

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes

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

Bendahou, Muselli, et al., 2008
Bendahou, M.; Muselli, A.; Grignon-Dubois, M.; Benyoucef, M.; Desjobert, J.-M.; Bernardini, A.-F.; Costa, J., Antimicrobial activity and chemical composition of Origanum glandulosum Desf. essential oil and extract obtained by microwave extraction: Comparison with hydrodistillation, Food Chem., 2008, 106, 1, 132-139, https://doi.org/10.1016/j.foodchem.2007.05.050 . [all data]

Benkaci-Ali, Baaliouamer, et al., 2007
Benkaci-Ali, F.; Baaliouamer, A.; Meklati, B.Y.; Chemat, F., Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation, Flavour Fragr. J., 2007, 22, 2, 148-153, https://doi.org/10.1002/ffj.1773 . [all data]

Senatore, Lentini, et al., 2003
Senatore, F.; Lentini, F.; Venza, F.; Bruno, M.; Napolitano, F., Composition and antibacterial activity of the essential oil of Anisochilus carnosus (Linn. fil.) Benth., a Tamil plant acclimatized in Sicily, Flavour Fragr. J., 2003, 18, 3, 202-204, https://doi.org/10.1002/ffj.1183 . [all data]

Economakis, Skaltsa, et al., 2002
Economakis, C.; Skaltsa, H.; Demetzos, C.; Sokovic, M.; Thanos, C.A., Effect of phosphorus concentration of the nutrient solution on the volatile constituents of leaves and bracts of Origanum dictamnus, J. Agric. Food Chem., 2002, 50, 22, 6276-6280, https://doi.org/10.1021/jf0203444 . [all data]

Hudaib, Speroni, et al., 2002
Hudaib, M.; Speroni, E.; di Pietra, A.M.; Cavrini, V., GC/MS evaluation of thyme (Thymus vulgaris L.) oil composition and variations during the vegetative cycle, J. Pharm. Biomed. Anal., 2002, 29, 4, 691-700, https://doi.org/10.1016/S0731-7085(02)00119-X . [all data]

Milos and Radonic, 2000
Milos, M.; Radonic, A., Gas chromatography mass spectral analysis of free and glycosidically bound volatile compounds from Juniperus oxycedrus L. growing wild in Croatia, Food Chem., 2000, 68, 3, 333-338, https://doi.org/10.1016/S0308-8146(99)00192-2 . [all data]

Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References

• Symbols used in this document:
  

  Tend	Final temperature
  Tstart	Initial temperature

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