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Substance Name: Butyl nonanoate
RN: 50623-57-9
UNII: 9YX9F28J2N
InChIKey: DOLFPCDDMUMIMR-UHFFFAOYSA-N

Molecular Formula

  • C13-H26-O2

Molecular Weight

  • 214.346
 
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Names and Synonyms

Name of Substance

  • Butyl nonanoate

Synonyms

  • AI3-33588
  • Butyl pelargonate
  • EINECS 256-661-2
  • UNII-9YX9F28J2N

Systematic Names

  • Butyl nonan-1-oate
  • Nonanoic acid, butyl ester

Registry Numbers

CAS Registry Number

  • 50623-57-9

FDA UNII

  • 9YX9F28J2N

System Generated Number

  • 0050623579

Structure Descriptors

InChI

InChI=1S/C13H26O2/c1-3-5-7-8-9-10-11-13(14)15-12-6-4-2/h3-12H2,1-2H3

InChIKey

DOLFPCDDMUMIMR-UHFFFAOYSA-N

Smiles

CCCCCCCCC(=O)OCCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.80E+01 deg C   EXP
log P (octanol-water) 5.280 (none)   EST
Water Solubility 1.130 mg/L 25 EST
Vapor Pressure 0.0214 mm Hg 25 EXP
Henry's Law Constant 2.98E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.33E-11 cm3/molecule-sec 25 EST

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