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Substance Name: Propanoic acid, 2-methyl-2-(3-pentadecylphenoxy)-
RN: 111396-81-7
InChIKey: SQSAOEAQCNWNBE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H42-O3

Molecular Weight

  • 390.6038
 
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Names and Synonyms

Synonyms

  • alpha-(3-Pentadecylphenoxy)isobutyric acid
  • BRN 4511318

Systematic Name

  • Propanoic acid, 2-methyl-2-(3-pentadecylphenoxy)-

Registry Numbers

CAS Registry Number

  • 111396-81-7

System Generated Number

  • 0111396817

Structure Descriptors

InChI

1S/C25H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(21-22)28-25(2,3)24(26)27/h17,19-21H,4-16,18H2,1-3H3,(H,26,27)

InChIKey

SQSAOEAQCNWNBE-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCc1cccc(c1)OC(C)(C)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 28, Pg. 611, 1989.