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Substance Name: Hexanedioic acid, dimethyl ester
RN: 627-93-0
UNII: BY71RX0R62
InChIKey: UDSFAEKRVUSQDD-UHFFFAOYSA-N

Classification Codes

  • Reproductive Effect
  • Tumor Data

Molecular Formula

  • C8-H14-O4

Molecular Weight

  • 174.195
 
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Names and Synonyms

Name of Substance

  • Adipic acid, dimethyl ester
  • Dimethyl adipate
  • Dimethyl hexanedioate
  • Dimethyladipate
  • Hexanedioic acid, dimethyl ester

Synonyms

  • 1,6-Dimethylhexanedioate
  • 4-02-00-01959 (Beilstein Handbook Reference)
  • Adipic acid dimethyl ester
  • AI3-00668
  • BRN 1707443
  • DBE 6
  • Dimethyl adipate
  • Dimethyl hexanedioate
  • EC 211-020-6
  • EINECS 211-020-6
  • HSDB 5021
  • Methyl adipate
  • Methyl adipate (VAN)
  • NSC 11213
  • UNII-BY71RX0R62

Systematic Names

  • Adipic acid, dimethyl ester
  • Dimethyl adipate
  • Hexanedioic acid, 1,6-dimethyl ester
  • Hexanedioic acid, dimethyl ester

Superlist Names

  • Adipic acid, dimethyl ester
  • Dimethyl adipate

Registry Numbers

CAS Registry Number

  • 627-93-0

FDA UNII

  • BY71RX0R62

Other Registry Number

  • 111366-61-1

System Generated Number

  • 0000627930

Structure Descriptors

InChI

1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3

InChIKey

UDSFAEKRVUSQDD-UHFFFAOYSA-N

Smiles

C(CCCCC(OC)=O)(OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 1809uL/kg (1.809mL/kg)   Journal of Pharmaceutical Sciences. Vol. 62, Pg. 1596, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 10.3 deg C   EXP
log P (octanol-water) 1.03 (none)   EXP
Water Solubility 6000 mg/L   EXP
Henry's Law Constant 2.31E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.40E-12 cm3/molecule-sec 25 EXP

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