bis(2-ethylhexyl) adipate (CHEBI:34675)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	bis(2-ethylhexyl) adipate

ChEBI ID	CHEBI:34675

Definition	A diester resulting from the formal condensation of the carboxy groups of adipic acid with 2-ethylhexan-1-ol. It is used as a plasticiser in the preparation of various polymers.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Wikipedia	License

Read full article at Wikipedia

Formula

C22H42O4

Net Charge

Average Mass

370.56650

Monoisotopic Mass

370.30831

InChI

InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3

InChIKey

SAOKZLXYCUGLFA-UHFFFAOYSA-N

SMILES

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

Roles Classification
Application(s):	plasticiser Any compound that is used as an additive to increase the plasticity or fluidity of a substance, particularly but not exclusively to synthetic polymers.

ChEBI Ontology
Outgoing	bis(2-ethylhexyl) adipate (CHEBI:34675) has functional parent 2-ethylhexan-1-ol (CHEBI:16011) bis(2-ethylhexyl) adipate (CHEBI:34675) has functional parent adipic acid (CHEBI:30832) bis(2-ethylhexyl) adipate (CHEBI:34675) has role plasticiser (CHEBI:79056) bis(2-ethylhexyl) adipate (CHEBI:34675) is a carboxylic ester (CHEBI:33308) bis(2-ethylhexyl) adipate (CHEBI:34675) is a dicarboxylic acids and O-substituted derivatives (CHEBI:131927) bis(2-ethylhexyl) adipate (CHEBI:34675) is a diester (CHEBI:51307)

IUPAC Name

bis(2-ethylhexyl) adipate

Synonyms	Sources
adipic acid bis(2-ethylhexyl) ester	ChemIDplus
BEHA	ChemIDplus
bis(2-ethylhexyl) hexanedioate	ChemIDplus
DEHA	ChemIDplus
Di(2-ethylhexyl) adipate	KEGG COMPOUND
Diethylhexyl adipate	KEGG COMPOUND
Dioctyl adipate	KEGG COMPOUND

Last Modified

16 May 2016