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Substance Name: Diethyl adipate
RN: 141-28-6
UNII: 7B19K45L6C
InChIKey: VIZORQUEIQEFRT-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Reproductive Effect

Molecular Formula

  • C10-H18-O4

Molecular Weight

  • 202.248
 
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Names and Synonyms

Name of Substance

  • Diethyl adipate

Synonyms

  • 1,6-Diethyl hexanedioate
  • 4-02-00-01960 (Beilstein Handbook Reference)
  • Adipic acid, diethyl ester
  • AI3-00342
  • BRN 1780035
  • Diethyl adipate
  • Diethyl hexanedioate
  • Diethylester kyseliny adipove
  • Diethylester kyseliny adipove [Czech]
  • EINECS 205-477-0
  • Ethyl adipate
  • Ethyl delta-carboethoxyvalerate
  • Hexanedioic acid, diethyl ester
  • HSDB 5413
  • NSC 19160
  • UNII-7B19K45L6C

Systematic Names

  • Adipic acid, diethyl ester
  • Diethyl adipate
  • Hexanedioic acid, 1,6-diethyl ester
  • Hexanedioic acid, diethyl ester

Superlist Name

  • Diethyl adipate

Registry Numbers

CAS Registry Number

  • 141-28-6

FDA UNII

  • 7B19K45L6C

System Generated Number

  • 0000141286

Structure Descriptors

InChI

1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3

InChIKey

VIZORQUEIQEFRT-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2190mg/kg (2190mg/kg)   Toxicology and Applied Pharmacology. Vol. 32, Pg. 566, 1975.
mouse LD50 oral 8100mg/kg (8100mg/kg)   Toksikologicheskii Vestnik. Vol. (4), Pg. 40, 1994.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.98E+01 deg C   EXP
Boiling Point 245 deg C   EXP
log P (octanol-water) 2.370 (none)   EST
Water Solubility 4230 mg/L 20 EXP
Henry's Law Constant 3.63E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.86E-12 cm3/molecule-sec 25 EST

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