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Substance Name: 4-Butoxybenzoic acid
RN: 1498-96-0
InChIKey: LAUFPZPAKULAGB-UHFFFAOYSA-N

Molecular Formula

  • C11-H14-O3

Molecular Weight

  • 194.229
 
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Names and Synonyms

Synonyms

  • AI3-12040
  • EINECS 216-104-6

Systematic Names

  • 4-Butoxybenzoic acid
  • Benzoic acid, 4-butoxy-

Registry Numbers

CAS Registry Number

  • 1498-96-0

System Generated Number

  • 0001498960

Structure Descriptors

InChI

1S/C11H14O3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)

InChIKey

LAUFPZPAKULAGB-UHFFFAOYSA-N

Smiles

C(c1ccc(OCCCC)cc1)(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 147-150 deg C   EXP
log P (octanol-water) 3.57 (none)   EXP
Water Solubility 41.8 mg/L 25 EST
Vapor Pressure 9.28E-05 mm Hg 25 EST
Henry's Law Constant 1.50E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.08E-11 cm3/molecule-sec 25 EST

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