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Substance Name: Topanol CA
RN: 1843-03-4
UNII: BF6E9O0XJN
InChIKey: PRWJPWSKLXYEPD-UHFFFAOYSA-N

Molecular Formula

  • C37-H52-O3

Molecular Weight

  • 544.815
 
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Names and Synonyms

Results Name

  • Topanol CA

Name of Substance

  • 4,4',4''-(1-Methyl-1-propanyl-3-ylidene)tris(2-(1,1-dimethylethyl- )-5-methylphnol)
  • Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris(2-(1,1-dimethylethyl- )-5-methyl-
  • Tri(butylcresyl)butane

Synonyms

  • 1,1,3-Tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane
  • 4,4',4''-(1-Methyl-1-propanyl-3-ylidene)tris(2-(1,1-dimethylethyl)-5-methylphenol)
  • BRN 2318488
  • EC 217-420-7
  • EINECS 217-420-7
  • GSY 930
  • MARK AO 30
  • Topanol CA
  • TPNC
  • Trisalkofen BMB
  • UNII-BF6E9O0XJN

Systematic Names

  • 4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)
  • m-Cresol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris(6-tert-butyl- (7CI,8CI)
  • Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris(2-(1,1-dimethylethyl)-5-methyl-

Registry Numbers

CAS Registry Number

  • 1843-03-4

FDA UNII

  • BF6E9O0XJN

Other Registry Numbers

  • 111214-48-3
  • 125052-71-3
  • 134685-22-6
  • 134707-88-3
  • 27322-35-6
  • 82278-68-0

System Generated Number

  • 0001843034

Structure Descriptors

InChI

1S/C37H52O3/c1-21(25-18-29(35(5,6)7)32(38)15-22(25)2)14-28(26-19-30(36(8,9)10)33(39)16-23(26)3)27-20-31(37(11,12)13)34(40)17-24(27)4/h15-21,28,38-40H,14H2,1-13H3

InChIKey

PRWJPWSKLXYEPD-UHFFFAOYSA-N

Smiles

Oc1c(cc(c(C)c1)C(c1c(cc(O)c(C(C)(C)C)c1)C)C[C@@H](c1c(cc(O)c(C(C)(C)C)c1)C)C)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 16100mg/kg (16100mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 42(7), Pg. 74, 1977.