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Substance Name: Heptyl octanoate
RN: 4265-97-8
UNII: RV47OTT39J
InChIKey: TZXWLJYLYILFGM-UHFFFAOYSA-N

Note

  • Esterification of heptanol and octanoic acid yields heptyl octanoate as a measure of enzyme activity.

Molecular Formula

  • C15-H30-O2

Molecular Weight

  • 242.4
 
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Names and Synonyms

Name of Substance

  • Heptyl octanoate

Synonyms

  • AI3-31018
  • EINECS 224-252-8
  • FEMA No. 2553
  • Heptyl caprylate
  • Heptyl octanoate
  • Heptyl octylate
  • Octanoic acid, heptyl ester
  • UNII-RV47OTT39J

Systematic Names

  • Heptyl octanoate
  • Octanoic acid, heptyl ester

Superlist Name

  • Heptyl octanoate

Registry Numbers

CAS Registry Number

  • 4265-97-8

FDA UNII

  • RV47OTT39J

System Generated Number

  • 0004265978

Structure Descriptors

InChI

1S/C15H30O2/c1-3-5-7-9-11-13-15(16)17-14-12-10-8-6-4-2/h3-14H2,1-2H3

InChIKey

TZXWLJYLYILFGM-UHFFFAOYSA-N

Smiles

C(OCCCCCCC)(CCCCCCC)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.06E+01 deg C   EXP
Boiling Point 290.5 deg C   EXP
log P (octanol-water) 6.270 (none)   EST
Atmospheric OH Rate Constant 1.61E-11 cm3/molecule-sec 25 EST

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