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Substance Name: 6-Phenylhexanoic acid
RN: 5581-75-9
UNII: 43U2R7T4EC
InChIKey: JTXZPQIXIXYMDY-UHFFFAOYSA-N

Molecular Formula

  • C12-H16-O2

Molecular Weight

  • 192.256
 
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Names and Synonyms

Name of Substance

  • 6-Phenylhexanoic acid

Synonyms

  • 6-Phenylhexanoic acid
  • UNII-43U2R7T4EC

Systematic Name

  • Benzenehexanoic acid

Registry Numbers

CAS Registry Number

  • 5581-75-9

FDA UNII

  • 43U2R7T4EC

System Generated Number

  • 0005581759

Structure Descriptors

InChI

1S/C12H16O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14)

InChIKey

JTXZPQIXIXYMDY-UHFFFAOYSA-N

Smiles

c1ccccc1CCCCCC(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 23 deg C   EXP
log P (octanol-water) 3.27 (none)   EXP
Water Solubility 480 mg/L 30 EXP
Vapor Pressure 9.74E-05 mm Hg 25 EST
Henry's Law Constant 1.37E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.16E-11 cm3/molecule-sec 25 EST

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