Chemical Properties of Musk ambrette (artificial) (CAS 83-66-9)

Musk ambrette (artificial)

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InChI
InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3
InChI Key
SUAUILGSCPYJCS-UHFFFAOYSA-N
Formula
C12H16N2O5
SMILES
COc1c(C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]
Molecular Weight1
268.27
CAS
83-66-9
Other Names
  • 1-(1,1-Dimethylethyl)-2-methoxy-4-methyl-3,5-dinitrobenzene
  • 1-Methyl-4-t-butyl-3-methoxy-2,6-dinitrobenzene
  • 1-Methyl-4-tert-butyl-3-methoxy-2,6-dinitrobenzene
  • 2,4-Dinitro-3-methyl-6-tert-butylanisole
  • 2,6-Dinitro-3-methoxy-4-tert-butyltoluene
  • 2-tert-Butyl-4,6-dinitro-5-methylanisole
  • 4-tert-Butyl-2,6-dinitro-3-methoxytoluene
  • 4-tert-Butyl-3-methoxy-2,6-dinitrotoluene
  • 5-t-Butyl-1,3-dinitro-4-methoxy-2-methylbenzene
  • 6-t-Butyl-3-methyl-2,4-dinitroanisole
  • 6-tert-Butyl-3-Methyl-2,4-dinitroanisol
  • 6-tert-Butyl-3-methyl-2,4-dinitroanisole
  • Amber musk
  • Ambrette musk
  • Anisole, 6-t-butyl-3-methyl-2,4-dinitro-
  • Anisole, 6-tert-butyl-3-methyl-2,4-dinitro-
  • Artificial musk ambrette
  • Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-3,5-dinitro-
  • Musk amberette
  • Musk ambrette
  • NSC 46122
  • Synthetic musk ambrette
Sources

Physical Properties

Property Value Unit Source
Δf 92.99 kJ/mol Joback Calculated Property
Δfgas -262.85 kJ/mol Joback Calculated Property
Δfus 35.82 kJ/mol Joback Calculated Property
Δvap 81.53 kJ/mol Joback Calculated Property
logPoct/wat 3.12 Crippen Calculated Property
Pc 2327.03 kPa Joback Calculated Property
Tboil 843.43 K Joback Calculated Property
Tc 1098.52 K Joback Calculated Property
Tfus 613.37 K Joback Calculated Property
Vc 0.77 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 580.04 J/mol×K 843.43 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=CH- (ring) 1
-NO2 2
=C< (ring) 5
>C< 1
-CH3 5

Similar Compounds

Anisole, 2-sec-butyl-4,6-dinitro-. 2-tert-Butyl-4,6-dinitrophenyl acetate. 2-tert-Butyl-4,6-dinitrophenyl trifluoroacetate. Dinoseb acetate. Binapacryl. 2-Cyclohexyl-4,6-dinitrophenyl propionate. 2-Tert-butyl-4,6-dinitrophenol. Phenol, 2-methyl-4,6-dinitro, acetate. 2-Sec-butyl-4,6-dinitrophenol. 4,6-Dinitro-o-cresol, isoBOC. Phenol, 2,4-dinitro-6-ethyl-. Phenol, 2-(1,1-dimethylpropyl)-6-nitro. 3-Methyl-2,4,6-trinitro-phenol. Methyl 2,6-dimethoxy-3-nitrobenzoic acid. 3,5-Dinitrosalicylic acid.

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