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

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

• Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-3,5-dinitro-
• Anisole, 6-tert-butyl-3-methyl-2,4-dinitro-
• Amber musk
• Musk ambrette
• Synthetic musk ambrette
• 6-tert-Butyl-3-Methyl-2,4-dinitroanisol
• 2-tert-Butyl-4,6-dinitro-5-methylanisole
• 2,4-Dinitro-3-methyl-6-tert-butylanisole
• 4-tert-Butyl-2,6-dinitro-3-methoxytoluene
• 6-tert-Butyl-3-methyl-2,4-dinitroanisole
• 2,6-Dinitro-3-methoxy-4-tert-butyltoluene
• Anisole, 6-t-butyl-3-methyl-2,4-dinitro-
• Artificial musk ambrette
• 1-(1,1-Dimethylethyl)-2-methoxy-4-methyl-3,5-dinitrobenzene
• 1-Methyl-4-t-butyl-3-methoxy-2,6-dinitrobenzene
• 5-t-Butyl-1,3-dinitro-4-methoxy-2-methylbenzene
• 6-t-Butyl-3-methyl-2,4-dinitroanisole
• Musk amberette
• 4-tert-Butyl-3-methoxy-2,6-dinitrotoluene
• Ambrette musk
• NSC 46122
• 1-Methyl-4-tert-butyl-3-methoxy-2,6-dinitrobenzene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[580.04; 638.53]	J/mol×K	[843.43; 1098.52]
Cp,gas	580.04	J/mol×K	843.43	Joback Calculated Property
Cp,gas	592.38	J/mol×K	885.94	Joback Calculated Property
Cp,gas	603.61	J/mol×K	928.46	Joback Calculated Property
Cp,gas	613.79	J/mol×K	970.97	Joback Calculated Property
Cp,gas	622.97	J/mol×K	1013.49	Joback Calculated Property
Cp,gas	631.20	J/mol×K	1056.00	Joback Calculated Property
Cp,gas	638.53	J/mol×K	1098.52	Joback Calculated Property
ΔsubH	102.90	kJ/mol	323.00	NIST

Similar Compounds

Find more compounds similar to Musk ambrette (artificial).

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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