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Substance Name: Decanedioic acid, diethyl ester
RN: 110-40-7
UNII: I41B9FJK6V
InChIKey: ONKUXPIBXRRIDU-UHFFFAOYSA-N

Note

  • Causes contact dermatitis.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C14-H26-O4

Molecular Weight

  • 258.355
 
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Names and Synonyms

Name of Substance

  • Decanedioic acid, diethyl ester
  • Diethyl decanedioate
  • Diethyl sebacate
  • Ethyl sebacate

Synonyms

  • 4-02-00-02080 (Beilstein Handbook Reference)
  • AI3-01970
  • Bisoflex DES
  • BRN 1790779
  • Decanedioic acid, diethyl ester
  • Diethyl 1,10-decanedioate
  • Diethyl 1,8-octanedicarboxylate
  • Diethyl decanedioate
  • Diethyl sebacate
  • EINECS 203-764-5
  • Ethyl sebacate
  • Ethyl sebacate (VAN)
  • FEMA No. 2376
  • NSC 8911
  • UNII-I41B9FJK6V

Systematic Names

  • Decanedioic acid, 1,10-diethyl ester
  • Decanedioic acid, diethyl ester
  • Diethyl sebacate
  • Sebacic acid, diethyl ester

Superlist Name

  • Diethyl sebacate

Registry Numbers

CAS Registry Number

  • 110-40-7

FDA UNII

  • I41B9FJK6V

System Generated Number

  • 0000110407

Structure Descriptors

InChI

InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3

InChIKey

ONKUXPIBXRRIDU-UHFFFAOYSA-N

Smiles

CCOC(=O)CCCCCCCCC(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 7280mg/kg (7280mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rat LD50 oral 14470mg/kg (14470mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 5 deg C   EXP
Boiling Point 305 deg C   EXP
log P (octanol-water) 4.330 (none)   EST
Water Solubility 80 mg/L 20 EXP
Henry's Law Constant 5.35E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.25E-11 cm3/molecule-sec 25 EST

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