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Substance Name: Di-n-octyl adipate
RN: 123-79-5
UNII: 2BD76YG9SI
InChIKey: NEHDRDVHPTWWFG-UHFFFAOYSA-N

Molecular Formula

  • C22-H42-O4

Molecular Weight

  • 370.57
 
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Names and Synonyms

Name of Substance

  • Di-n-octyl adipate
  • Dioctyl hexanedioate

Synonyms

  • Adimoll DO
  • AI3-17824
  • Bis(2-ethylhexyl) hexanedioate
  • Di-n-octyl adipate
  • Dicaprylyl adipate
  • Dioctyl adipate
  • EINECS 204-652-9
  • Hexanedioic acid, dioctyl ester
  • HSDB 366
  • NSC 16201
  • Octyl adipate
  • Octyl adipate (VAN)
  • UNII-2BD76YG9SI

Systematic Names

  • Adipic acid, dioctyl ester (8CI)
  • Dioctyl adipate
  • Hexanedioic acid, 1,6-dioctyl ester
  • Hexanedioic acid, dioctyl ester

Superlist Name

  • Adipic acid, dioctyl ester

Registry Numbers

CAS Registry Number

  • 123-79-5

FDA UNII

  • 2BD76YG9SI

System Generated Number

  • 0000123795

Structure Descriptors

InChI

1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3

InChIKey

NEHDRDVHPTWWFG-UHFFFAOYSA-N

Smiles

C(CCCC(OCCCCCCCC)=O)C(OCCCCCCCC)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.00E+01 deg C   EXP
log P (octanol-water) 6.110 (none)   EST
Water Solubility 0.78 mg/L 22 EXP
Vapor Pressure 8.50E-07 mm Hg 20 EXP
Henry's Law Constant 4.34E-07 atm-m3/mole 20 EXP
Atmospheric OH Rate Constant 2.40E-11 cm3/molecule-sec 25 EST

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