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Substance Name: Musk ambrette
RN: 83-66-9
UNII: 55V150W8R6
InChIKey: SUAUILGSCPYJCS-UHFFFAOYSA-N

Note

  • Widely used fragrance implicated in contact photosensitivity.

Molecular Formula

  • C12-H16-N2-O5

Molecular Weight

  • 268.2674
 

Classification Codes

Classification Codes

  • Mutagens
  • Mutation Data
  • Noxae
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • Musk ambrette
  • Musk ambrette (artificial)

Synonyms

  • 1-(1,1-Dimethylethyl)-2-methoxy-4-methyl-3,5-dinitrobenzene
  • 2,4-Dinitro-3-methyl-6-tert-butylanisole
  • 2,6-Dinitro-3-methoxy-1-methyl-4-tert-butylbenzene
  • 2,6-Dinitro-3-methoxy-4-tert-butyltoluene
  • 4-06-00-03402 (Beilstein Handbook Reference)
  • 4-Methoxy-1,3-dinitro-2-methyl-5-tert-butylbenzene
  • 4-tert-Butyl-3-methoxy-1-methyl-2,6-dinitrobenzene
  • 4-tert-Butyl-3-methoxy-2,6-dinitrotoluene
  • 6-tert-Butyl-3-methyl-2,4-dinitroanisole
  • AI3-02439
  • Amber musk
  • Ambrette musk
  • Artificial musk ambrette
  • BRN 1889437
  • CCRIS 2390
  • EINECS 201-493-7
  • HSDB 7693
  • Musk ambrette
  • Musk ambrette (artificial)
  • Musk ambrette (VAN)
  • NSC 46122
  • Synthetic musk ambrette
  • UNII-55V150W8R6

Systematic Names

  • 1-(1,1-Dimethylethyl)-2-methoxy-4-methyl-3,5-dinitrobenzene
  • 4-tert-Butyl-3-methoxy-2,6-dinitrotoluene
  • Anisole, 6-t-butyl-3-methyl-2,4-dinitro-
  • Anisole, 6-tert-butyl-3-methyl-2,4-dinitro- (8CI)
  • Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-3,5-dinitro-
  • Musk ambrette

Superlist Names

  • Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-3,5-dinitro-
  • Musk ambrette

Registry Numbers

CAS Registry Number

  • 83-66-9

FDA UNII

  • 55V150W8R6

System Generated Number

  • 0000083669

Structure Descriptors

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

InChIKey

SUAUILGSCPYJCS-UHFFFAOYSA-N

Smiles

c1(c(c(c(cc1C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-])OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 2gm/kg (2000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 875, 1975.
rat LD50 oral 339mg/kg (339mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 85 deg C   EXP
log P (octanol-water) 4.170 (none)   EST
Atmospheric OH Rate Constant 1.50E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.