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Substance Name: Butyl caprylate
RN: 589-75-3
UNII: 4I64Y9N2WO
InChIKey: PSXNDMJWRZYVTM-UHFFFAOYSA-N

Molecular Formula

  • C12-H24-O2

Molecular Weight

  • 200.32
 
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Names and Synonyms

Results Name

  • Butyl caprylate

Name of Substance

  • Butyl octanoate

Synonyms

  • AI3-30983
  • Butyl caprylate
  • Butyl octanoate
  • EINECS 209-659-0
  • n-Butyl octanoate
  • n-Butylcaprylate
  • NSC 23740
  • UNII-4I64Y9N2WO

Systematic Names

  • Butyl octanoate
  • Octanoic acid, butyl ester

Registry Numbers

CAS Registry Number

  • 589-75-3

FDA UNII

  • 4I64Y9N2WO

System Generated Number

  • 0000589753

Structure Descriptors

InChI

InChI=1S/C12H24O2/c1-3-5-7-8-9-10-12(13)14-11-6-4-2/h3-11H2,1-2H3

InChIKey

PSXNDMJWRZYVTM-UHFFFAOYSA-N

Smiles

CCCCCCCC(=O)OCCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.29E+01 deg C   EXP
Boiling Point 240.5 deg C   EXP
log P (octanol-water) 4.790 (none)   EST
Water Solubility 3.520 mg/L 25 EST
Vapor Pressure 0.031 mm Hg 25 EST
Henry's Law Constant 2.25E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.19E-11 cm3/molecule-sec 25 EST

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