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:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
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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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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.

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

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

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