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Substance Name: Dihexyl adipate
RN: 110-33-8
UNII: H16ECG10GB
InChIKey: HHECSPXBQJHZAF-UHFFFAOYSA-N

Molecular Formula

  • C18-H34-O4

Molecular Weight

  • 314.463
 
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Names and Synonyms

Name of Substance

  • Dihexyl adipate
  • Hexanedioic acid, dihexyl ester

Synonyms

  • 4-02-00-01963 (Beilstein Handbook Reference)
  • AI3-07963
  • BRN 1798668
  • Dihexyl adipate
  • Dihexyl hexanedioate
  • EC 203-757-7
  • EINECS 203-757-7
  • Plasticizer dihexyl adipate
  • UNII-H16ECG10GB

Systematic Names

  • Adipic acid, dihexyl ester
  • Dihexyl adipate
  • Hexanedioic acid, 1,6-dihexyl ester
  • Hexanedioic acid, dihexyl ester

Superlist Names

  • Adipic acid, dihexyl ester
  • Di-n-hexyl adipate

Registry Numbers

CAS Registry Number

  • 110-33-8

FDA UNII

  • H16ECG10GB

System Generated Number

  • 0000110338

Structure Descriptors

InChI

1S/C18H34O4/c1-3-5-7-11-15-21-17(19)13-9-10-14-18(20)22-16-12-8-6-4-2/h3-16H2,1-2H3

InChIKey

HHECSPXBQJHZAF-UHFFFAOYSA-N

Smiles

C(CCCC(OCCCCCC)=O)C(OCCCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 19600mg/kg (19600mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(12), Pg. 56, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 6.300 (none)   EST
Water Solubility 0.042 mg/L 25 EST
Vapor Pressure 2.88E-06 mm Hg 25 EXP
Henry's Law Constant 1.66E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.83E-11 cm3/molecule-sec 25 EST

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