diethyl adipate

Synonyms: "diethyl adipate", "diethyl hexanedioate", "ethyl adipate", "adipic acid", "diethyl ester", "hexanedioic acid", "diethyl ester", "adipic acid diethyl ester"

Source: diethyl adipate is an important solvent and intermediate product in organic synthesis,used widely in domestic chemicals and food industry,such as spicery and plasticizing agent.

Identifiers:

IUPAC Name: diethyl hexanedioate
CAS Number: 141-28-6
PubChem ID: 8844
InChiKey: VIZORQUEIQEFRT-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)CCCCC(=O)OCC

Structural Properties:

Molecular Formula: C₁₀H₁₈O₄
Molecular Weight: 202.248

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 14

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Singh AR, Lawrence WH, Autian J. 1975. Dominant lethal mutations and antifertility effects of di-2-ethylhexyl adipate and diethyl adipate in male mice. Toxicol Appl Pharmacol 32(3):566-576.