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Substance Name: Octyl hexanoate
RN: 4887-30-3
UNII: 19B54293W4
InChIKey: CMNMHJVRZHGAAK-UHFFFAOYSA-N

Molecular Formula

  • C14-H28-O2

Molecular Weight

  • 228.373
 
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Names and Synonyms

Name of Substance

  • Octyl hexanoate

Synonyms

  • AI3-06038
  • EINECS 225-499-4
  • NSC 53816
  • Octyl hexanoate
  • UNII-19B54293W4

Systematic Names

  • Hexanoic acid, octyl ester
  • Octyl hexanoate

Registry Numbers

CAS Registry Number

  • 4887-30-3

FDA UNII

  • 19B54293W4

System Generated Number

  • 0004887303

Structure Descriptors

InChI

InChI=1S/C14H28O2/c1-3-5-7-8-9-11-13-16-14(15)12-10-6-4-2/h3-13H2,1-2H3

InChIKey

CMNMHJVRZHGAAK-UHFFFAOYSA-N

Smiles

CCCCCCCCOC(=O)CCCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.80E+01 deg C   EXP
Boiling Point 275 deg C   EXP
log P (octanol-water) 5.780 (none)   EST
Atmospheric OH Rate Constant 1.47E-11 cm3/molecule-sec 25 EST

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