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: 202,2475

Pharmacophore Features:

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

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

GENE-TOX

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.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer