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Substance Name: Diisoamyl adipate
RN: 6624-70-0
UNII: EI9PMM8ZW5
InChIKey: HIEOGLNFUKBFCF-UHFFFAOYSA-N

Molecular Formula

  • C16-H30-O4

Molecular Weight

  • 286.409
 
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Names and Synonyms

Name of Substance

  • Diisoamyl adipate

Synonyms

  • 4-02-00-01963 (Beilstein Handbook Reference)
  • Adipic acid bis(3-methylbutyl) ester
  • Bis(3-methylbutyl) adipate
  • BRN 1794641
  • Di(3-methylbutyl)adipate
  • Diisoamyl adipate
  • NSC 53822
  • UNII-EI9PMM8ZW5

Systematic Names

  • Adipic acid, diisopentyl ester
  • Hexanedioic acid, bis(3-methylbutyl) ester (9CI)

Registry Numbers

CAS Registry Number

  • 6624-70-0

FDA UNII

  • EI9PMM8ZW5

System Generated Number

  • 0006624700

Structure Descriptors

InChI

1S/C16H30O4/c1-13(2)9-11-19-15(17)7-5-6-8-16(18)20-12-10-14(3)4/h13-14H,5-12H2,1-4H3

InChIKey

HIEOGLNFUKBFCF-UHFFFAOYSA-N

Smiles

C(OCCC(C)C)(CCCCC(OCCC(C)C)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 25mL/kg (25mL/kg)   German Offenlegungsschrift Patent Document. Vol. #2703360,
rabbit LD50 intravenous 640mg/kg (640mg/kg)   U.S. Army, Chemical Corps Medical Laboratories Research Reports. Vol. #256, Pg. 1954,
rat LD50 intravenous 640mg/kg (640mg/kg)   U.S. Army, Chemical Corps Medical Laboratories Research Reports. Vol. #256, Pg. 1954,