CHEBI:34675 - bis(2-ethylhexyl) adipate

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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 No supplier information found for this compound.
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Bis(2-ethylhexyl) adipate or DEHA or DOA is an organic compound with the formula (CH2CH2CO2C8H17)2. It is the diester of 2-ethylhexanol and adipic acid. It is a colorless oily liquid. DEHA is sometimes called "dioctyl adipate", incorrectly. Another name is di(2-ethylhexyl) adipate. The abbreviation DOA has been used for both bis(-2-ethylhexyl)-adipate and dioctyl adipate
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Formula C22H42O4
Net Charge 0
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.
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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
Manual Xrefs Databases
Bis(2-ethylhexyl)_adipate Wikipedia
C14240 KEGG COMPOUND
HMDB0040270 HMDB
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Registry Numbers Types Sources
103-23-1 CAS Registry Number ChemIDplus
103-23-1 CAS Registry Number NIST Chemistry WebBook
1803774 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
16 May 2016