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Substance Name: Diisobutyl adipate
RN: 141-04-8
UNII: 8OPY05ZY7S
InChIKey: RDOFJDLLWVCMRU-UHFFFAOYSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C14-H26-O4

Molecular Weight

  • 258.355
 
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Names and Synonyms

Name of Substance

  • Bis(2-methylpropyl) hexanedioate
  • Diisobutyl adipate
  • Diisobutyl hexanedioate
  • Hexanedioic acid, bis(2-methylpropyl) ester
  • Hexanedioic acid, diisobutyl ester

Synonyms

  • 4-02-00-01962 (Beilstein Handbook Reference)
  • Adipic acid bis(2-methylpropyl) ester
  • Adipic acid, diisobutyl ester
  • AI3-00995
  • BRN 1791084
  • CCRIS 8265
  • DIBA
  • Dibutyl adipate
  • Diisobutyl adipate
  • EINECS 205-450-3
  • Ftaflex DIBA
  • HSDB 345
  • Isobutyl adipate
  • NSC 6343
  • Plasthall DIBA
  • UNII-8OPY05ZY7S

Systematic Names

  • Adipic acid, diisobutyl ester
  • Diisobutyl adipate
  • Hexanedioic acid, 1,6-bis(2-methylpropyl) ester
  • Hexanedioic acid, bis(2-methylpropyl) ester

Superlist Name

  • Diisobutyl adipate

Registry Numbers

CAS Registry Number

  • 141-04-8

FDA UNII

  • 8OPY05ZY7S

Other Registry Number

  • 53659-85-1

System Generated Number

  • 0000141048

Structure Descriptors

InChI

1S/C14H26O4/c1-11(2)9-17-13(15)7-5-6-8-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3

InChIKey

RDOFJDLLWVCMRU-UHFFFAOYSA-N

Smiles

C(OCC(C)C)(CCCCC(OCC(C)C)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 12300uL/kg (12.3mL/kg)   German Offenlegungsschrift Patent Document. Vol. #2703360,
rat LD50 intraperitoneal 5950uL/kg (5.95mL/kg)   Journal of Pharmaceutical Sciences. Vol. 62, Pg. 1596, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.00E+01 deg C   EXP
Boiling Point 279 deg C   EXP
log P (octanol-water) 4.190 (none)   EST
Water Solubility 18.8 mg/L 25 EST
Vapor Pressure 5.63E-03 mm Hg 25 EST
Henry's Law Constant 5.35E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.27E-11 cm3/molecule-sec 25 EST

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