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CHEBI:34675 - bis(2-ethylhexyl) adipate

ChEBI IDCHEBI:34675
ChEBI Namebis(2-ethylhexyl) adipate
Stars
DefinitionA 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.
Last Modified16 May 2016
DownloadsMolfile
FormulaC22H42O4
Net Charge0
Average Mass370.574
Monoisotopic Mass370.30831
SMILESCCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
InChIInChI=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
InChIKeySAOKZLXYCUGLFA-UHFFFAOYSA-N
Wikipedia
Roles Classification
Application:
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 Relation(s)
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  Source
Di(2-ethylhexyl) adipateKEGG COMPOUND
Dioctyl adipateKEGG COMPOUND
BEHAChemIDplus
bis(2-ethylhexyl) hexanedioateChemIDplus
DEHAChemIDplus
adipic acid bis(2-ethylhexyl) esterChemIDplus
Manual XrefsDatabases
C14240KEGG COMPOUND
Bis(2-ethylhexyl)_adipateWikipedia
HMDB0040270HMDB
Registry NumbersSources
Reaxys:1803774Reaxys
CAS:103-23-1KEGG COMPOUND
CAS:103-23-1ChemIDplus
CAS:103-23-1NIST Chemistry WebBook
Citations