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Substance Name: Adipic acid, bis(2-ethylbutyl) ester
RN: 10022-60-3
InChIKey: BSJVZANRYHAYEA-UHFFFAOYSA-N

Molecular Formula

  • C18-H34-O4

Molecular Weight

  • 314.463
 
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Names and Synonyms

Synonyms

  • 4-02-00-01964 (Beilstein Handbook Reference)
  • Adipic acid, di(2-ethylbutyl) ester
  • Bis-(2-ethylbutyl)ester kyseliny adipove
  • Bis-(2-ethylbutyl)ester kyseliny adipove [Czech]
  • BRN 1799763
  • Di(2-ethylbutyl) adipate

Systematic Names

  • Adipic acid, bis(2-ethylbutyl) ester
  • Hexanedioic acid, bis(2-ethylbutyl) ester

Registry Numbers

CAS Registry Number

  • 10022-60-3

System Generated Number

  • 0010022603

Structure Descriptors

InChI

1S/C18H34O4/c1-5-15(6-2)13-21-17(19)11-9-10-12-18(20)22-14-16(7-3)8-4/h15-16H,5-14H2,1-4H3

InChIKey

BSJVZANRYHAYEA-UHFFFAOYSA-N

Smiles

C(COC(CCCCC(OCC(CC)CC)=O)=O)(CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 17mL/kg (17mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 5620mg/kg (5620mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.50E+01 deg C   EXP
log P (octanol-water) 6.150 (none)   EST
Atmospheric OH Rate Constant 1.97E-11 cm3/molecule-sec 25 EST

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