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Substance Name: Heptyl heptanoate
RN: 624-09-9
UNII: BG2A3OKN56
InChIKey: QOIIBPAJVWFEPE-UHFFFAOYSA-N

Molecular Formula

  • C14-H28-O2

Molecular Weight

  • 228.373
 
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Names and Synonyms

Name of Substance

  • Heptyl heptanoate

Synonyms

  • AI3-02076
  • EINECS 210-828-6
  • Heptyl heptanoate
  • UNII-BG2A3OKN56

Systematic Names

  • Heptanoic acid, heptyl ester
  • Heptyl heptanoate

Registry Numbers

CAS Registry Number

  • 624-09-9

FDA UNII

  • BG2A3OKN56

System Generated Number

  • 0000624099

Structure Descriptors

InChI

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

InChIKey

QOIIBPAJVWFEPE-UHFFFAOYSA-N

Smiles

CCCCCCCOC(=O)CCCCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.30E+01 deg C   EXP
Boiling Point 277 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.