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Substance Name: 4-N-Propylbenzoic acid
RN: 2438-05-3
UNII: 3P1V85E45O
InChIKey: ATZHGRNFEFVDDJ-UHFFFAOYSA-N

Molecular Weight

  • 164.2028
 
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Names and Synonyms

Name of Substance

  • 4-n-Propylbenzoic acid

Synonym

  • UNII-3P1V85E45O

Systematic Name

  • 4-n-Propylbenzoic acid

Registry Numbers

CAS Registry Number

  • 2438-05-3

FDA UNII

  • 3P1V85E45O

System Generated Number

  • 0002438053

Structure Descriptors

InChI

1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)

InChIKey

ATZHGRNFEFVDDJ-UHFFFAOYSA-N

Smiles

CCCc1ccc(cc1)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 142-144 deg C   EXP
log P (octanol-water) 3.42 (none)   EXP
Water Solubility 78.6 mg/L 25 EST
Vapor Pressure 6.03E-04 mm Hg 25 EST
Henry's Law Constant 2.11E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.78E-12 cm3/molecule-sec 25 EST

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