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Substance Name: Benzenebutanoic acid, gamma-methyl- (9CI)
RN: 16433-43-5
InChIKey: UIIMQLPOAXFKFW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-O2

Molecular Weight

  • 178.23
 
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Names and Synonyms

Synonyms

  • 4-Phenylpentanoic acid
  • 4-Phenylvaleric acid
  • gamma-Methylbenzenebutanoic acid
  • Pentanoic acid, 4-phenyl-

Systematic Names

  • Benzenebutanoic acid, gamma-methyl- (9CI)
  • Valeric acid, 4-phenyl-

Registry Numbers

CAS Registry Number

  • 16433-43-5

System Generated Number

  • 0016433435

Structure Descriptors

InChI

1S/C11H14O2/c1-9(7-8-11(12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)

InChIKey

UIIMQLPOAXFKFW-UHFFFAOYSA-N

Smiles

c1([C@@H](CCC(O)=O)C)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 670mg/kg (670mg/kg)   Farmaco, Edizione Scientifica. Vol. 16, Pg. 23, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 13 deg C   EXP
log P (octanol-water) 3.190 (none)   EST
Atmospheric OH Rate Constant 9.97E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.