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Substance Name: Octyl octanoate
RN: 2306-88-9
UNII: MM00XO86JQ
InChIKey: DJNTZVRUYMHBTD-UHFFFAOYSA-N

Molecular Formula

  • C16-H32-O2

Molecular Weight

  • 256.427
 
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Names and Synonyms

Name of Substance

  • Octyl octanoate

Synonyms

  • AI3-31017
  • EC 218-980-5
  • EINECS 218-980-5
  • FEMA No. 2811
  • n-Octyl caprylate
  • NSC 23957
  • Octanoic acid, octyl ester
  • Octyl caprylate
  • Octyl octanoate
  • Octyl octylate
  • UNII-MM00XO86JQ

Systematic Names

  • Octanoic acid, octyl ester
  • Octyl octanoate

Superlist Name

  • Octyl octanoate

Registry Numbers

CAS Registry Number

  • 2306-88-9

FDA UNII

  • MM00XO86JQ

System Generated Number

  • 0002306889

Structure Descriptors

InChI

1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3

InChIKey

DJNTZVRUYMHBTD-UHFFFAOYSA-N

Smiles

C(OCCCCCCCC)(CCCCCCC)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.81E+01 deg C   EXP
Boiling Point 306.8 deg C   EXP
log P (octanol-water) 6.760 (none)   EST
Atmospheric OH Rate Constant 1.75E-11 cm3/molecule-sec 25 EST

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