Musk ketone

• Formula: C₁₄H₁₈N₂O₅
• Molecular weight: 294.3031
• IUPAC Standard InChI: InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3 Copy

  
• IUPAC Standard InChIKey: WXCMHFPAUCOJIG-UHFFFAOYSA-N Copy
• CAS Registry Number: 81-14-1
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro-; 4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone; Ketone Moschus; Ethanone, 1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]-; 2,6-Dinitro-3,5-dimethyl-4-acetyl-tertbutylbenzene; 4-tert-Butyl-3,5-dinitro-2,6-dimethylacetophenone; 4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone; 1-Acetyl-4-tert-butyl-2,6-dimethyl-3,5-dinitrobenzene; 1-[4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]ethanone; 4-t-Butyl-2,6-dimethyl-3,5-dinitroacetophenone; 4-tert-Butyl-2,6-dimethyl-3,5-dinitroactophenone; Ketone musk; 3,5-Dinitro-2,6-dimethyl-4-tert-butyl acetophenone; 2,6-Dimethyl-3,5-dinitro-4-t-butylacetophenone; NSC 15339; 2,6-Dimethyl-3,5-dinitro-4-tert-butylacetophenone
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• Information on this page:
  • Phase change data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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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: William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

Enthalpy of fusion

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

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References

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

Serpinskii, Voitkevich, et al., 1953
Serpinskii, V.V.; Voitkevich, S.A.; Lyuboshits, N.Y., Zh. Fiz. Khim., 1953, 27, 1032. [all data]

Jones, 1960
Jones, A.H., Sublimation Pressure Data for Organic Compounds., J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019 . [all data]

Qu, Bai, et al., 2004
Qu, H.; Bai, P.; Yang, Z.; Yu, G., Chin. J. Chem. Eng., 2004, 12, 2, 294. [all data]

Tudor, 1997
Tudor, E., Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations, J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6 . [all data]

Chang, Sheng, et al., 1989
Chang, L.P.; Sheng, L.S.; Yang, M.Z.; An, D.K., Retention index of essential oil in temperature-programmed capillary column gas chromatography, Acta Pharm. Sin., 1989, 24, 11, 847-852. [all data]

Notes

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• Symbols used in this document:
  

  ΔfusH	Enthalpy of fusion
  ΔsubH	Enthalpy of sublimation

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