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Substance Name: Musk tibetine
RN: 145-39-1
UNII: CMN65165X5
InChIKey: MINYPECWDZURGR-UHFFFAOYSA-N

Note

  • In contrast to other musk cpds this cpd does not cause allergic photocontact dermatitis.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C13-H18-N2-O4

Molecular Weight

  • 266.295
 
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Names and Synonyms

Name of Substance

  • Musk tibetine

Synonyms

  • 3-05-00-01055 (Beilstein Handbook Reference)
  • 5-tert-Butyl-1,2,3-trimethyl-4,6-dinitrobenzene
  • AI3-02441
  • Benzene, 1-(1,1-dimethylethyl)-2,6-dinitro-3,4,5-trimethyl-
  • Benzene, 1-tert-butyl-2,6-dinitro-3,4,5-trimethyl-
  • BRN 2000732
  • CCRIS 7623
  • EINECS 205-651-6
  • Musk tibetene
  • Musk tibetine
  • NSC 78470
  • Tibetene musk
  • UNII-CMN65165X5

Systematic Names

  • 1-tert-Butyl-3,4,5-trimethyl-2,6-dinitrobenzene
  • Benzene, 1-(1,1-dimethylethyl)-2,6-dinitro-3,4,5-trimethyl-
  • Benzene, 1-(1,1-dimethylethyl)-3,4,5-trimethyl-2,6-dinitro-
  • Benzene, 1-tert-butyl-3,4,5-trimethyl-2,6-dinitro- (8CI)
  • Musk tibetene

Registry Numbers

CAS Registry Number

  • 145-39-1

FDA UNII

  • CMN65165X5

System Generated Number

  • 0000145391

Structure Descriptors

InChI

1S/C13H18N2O4/c1-7-8(2)11(14(16)17)10(13(4,5)6)12(9(7)3)15(18)19/h1-6H3

InChIKey

MINYPECWDZURGR-UHFFFAOYSA-N

Smiles

[O-][N+](=O)c1c(c([N+]([O-])=O)c(c(C)c1C)C)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 879, 1975.
rat LD50 oral > 6gm/kg (6000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 879, 1975.