Cas no 73507-41-2 (Musk ambrette)

Musk ambrette structure
Musk ambrette structure
Product Name:Musk ambrette
CAS No:73507-41-2
MF:C12H16N2O5
MW:268.265843391418
CID:59479
PubChem ID:6753
Update Time:2025-04-18

Musk ambrette Chemical and Physical Properties

Names and Identifiers

    • Musk ambrette
    • 1-(1,1-Dimethylethyl)-2-methoxy-4-methylbenzene nitrated
    • 4-tert-Butyl-3-methoxy-2,6-dinitrotoluene
    • 4-tert-Butyl-2,6-dinitro-3-methoxytoluene
    • MUSK AMDRETTE
    • CHEBI:82495
    • FEMA NO. 2758 (GRAS DELISTED)
    • MFCD00024268
    • SCHEMBL155056
    • UNII-55V150W8R6
    • Musk ambrette (artificial)
    • Q26841326
    • AMY25109
    • Synthetic musk ambrette
    • 73507-41-2
    • 5-t-Butyl-1,3-dinitro-4-methoxy-2-methylbenzene
    • E78966
    • 83-66-9
    • BRN 1889437
    • 4-06-00-03402 (Beilstein Handbook Reference)
    • FT-0619482
    • NSC59845
    • Musk ambrette 10 microg/mL in Cyclohexane
    • Tox21_201195
    • CAS-83-66-9
    • C19461
    • Artificial musk ambrette
    • Oprea1_663268
    • NSC 46122
    • Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-3,5-dinitro-
    • Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-, nitrated
    • 1-tert-butyl-2-methoxy-4-methyl-3,5-dinitro-benzene
    • Musk ambrette, artificial
    • Anisole, 6-tert-butyl-3-methyl-2,4-dinitro-
    • NCGC00091130-04
    • MUSK AMBRETTE [IARC]
    • NSC-59845
    • 1-Methyl-4-t-butyl-3-methoxy-2,6-dinitrobenzene
    • DTXSID7025689
    • 55V150W8R6
    • 2-tert-Butyl-4,6-dinitro-5-methylanisole
    • NCGC00258747-01
    • 1-tert-Butyl-2-methoxy-4-methyl-3,5-dinitrobenzene
    • AI3-02439
    • Oprea1_084169
    • Musk ambrette paste
    • MUSKAMBRETTE
    • Anisole, 6-t-butyl-3-methyl-2,4-dinitro-
    • 2,6-Dinitro-3-methoxy-1-methyl-4-tert-butylbenzene
    • NS00004439
    • 4-Methoxy-1,3-dinitro-2-methyl-5-tert-butylbenzene
    • InChI=1/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H
    • Ambrette musk
    • CS-0314530
    • AS-64958
    • 6-tert-Butyl-3-methyl-2,4-dinitroanisol
    • 1-(1,1-Dimethylethyl)-2-methoxy-4-methyl-3,5-dinitrobenzene
    • 1-tert-Butyl-2-methoxy-4-methyl-3,5-dinitrobenzene #
    • NSC46122
    • CCRIS 2390
    • 2,4-Dinitro-3-methyl-6-tert-butylanisole
    • Benzene,1-dimethylethyl)-2-methoxy-4-methyl-3,5-dinitro-
    • 6-t-Butyl-3-methyl-2,4-dinitroanisole
    • NSC-46122
    • NCIOpen2_002280
    • NCGC00091130-01
    • DTXCID705689
    • 4-tert-Butyl-3-methoxy-1-methyl-2,6-dinitrobenzene
    • Musk ambrette (VAN)
    • 1-(tert-butyl)-2-methoxy-4-methyl-3,5-dinitrobenzene
    • 6-tert-Butyl-3-methyl-2,4-dinitroanisole
    • B1379
    • W-109302
    • CHEMBL1373568
    • EINECS 201-493-7
    • 4-t-butyl-3-methoxy-2,6-dinitrotoluene
    • WLN: WNR B1 DO1 CNW EX1&1&1
    • AKOS003093534
    • 2,6-Dinitro-3-methoxy-4-tert-butyltoluene
    • HSDB 7693
    • BENZENE,5-TERT.BUTYL,1,3-DINITRO,4-METHOXY,2-METHYL MUSCAMBRETTE
    • Amber musk
    • NCGC00091130-03
    • SUAUILGSCPYJCS-UHFFFAOYSA-N
    • 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
    • SMILES： O(C)C1C(=C(C)C(=CC=1C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 268.10592162g/mol
  • Monoisotopic Mass: 268.10592162g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 355
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Density: 1.218
  • Melting Point: 85 deg C
  • Boiling Point: 369.3°C at 760 mmHg
  • Flash Point: 149.6°C
  • Refractive Index: 1.541
  • LogP: log Kow = 4.0

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