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Substance Name: Phenol, o-heptyl-
RN: 5284-22-0
InChIKey: FIWYWGLEPWBBQU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-O

Molecular Weight

  • 192.3
 
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Names and Synonyms

Synonyms

  • 2-Heptylphenol
  • 4-06-00-03453 (Beilstein Handbook Reference)
  • BRN 2253374
  • o-Heptylphenol
  • o-n-Heptylphenol

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 5284-22-0

System Generated Number

  • 0005284220

Structure Descriptors

InChI

1S/C13H20O/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h7-8,10-11,14H,2-6,9H2,1H3

InChIKey

FIWYWGLEPWBBQU-UHFFFAOYSA-N

Smiles

c1(c(cccc1)CCCCCCC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2750mg/kg (2750mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 53, Pg. 218, 1935.