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Substance Name: Phenol, o-hexyl-
RN: 3226-32-2
InChIKey: ABMULKFGWTYIIK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-O

Molecular Weight

  • 178.273
 
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Names and Synonyms

Synonyms

  • 2-Hexylphenol
  • 4-06-00-03414 (Beilstein Handbook Reference)
  • BRN 1943750
  • o-Hexylphenol

Systematic Names

  • Phenol, 2-hexyl- (9CI)
  • Phenol, o-hexyl-

Registry Numbers

CAS Registry Number

  • 3226-32-2

System Generated Number

  • 0003226322

Structure Descriptors

InChI

1S/C12H18O/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h6-7,9-10,13H,2-5,8H2,1H3

InChIKey

ABMULKFGWTYIIK-UHFFFAOYSA-N

Smiles

c1(c(cccc1)O)CCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1300mg/kg (1300mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 53, Pg. 218, 1935.