CHEBI:34698 - diethyl phthalate

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ChEBI Name diethyl phthalate
ChEBI ID CHEBI:34698
Definition The diethyl ester of benzene-1,2-dicarboxylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C12H14O4
Net Charge 0
Average Mass 222.23716
Monoisotopic Mass 222.08921
InChI InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
InChIKey FLKPEMZONWLCSK-UHFFFAOYSA-N
SMILES CCOC(=O)c1ccccc1C(=O)OCC
Roles Classification
Biological Role(s): teratogenic agent
A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect.
neurotoxin
A poison that interferes with the functions of the nervous system.
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.
endocrine disruptor
Any compound that can disrupt the functions of the endocrine (hormone) system
(via phthalate ester )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing diethyl phthalate (CHEBI:34698) has role neurotoxin (CHEBI:50910)
diethyl phthalate (CHEBI:34698) has role plasticiser (CHEBI:79056)
diethyl phthalate (CHEBI:34698) has role teratogenic agent (CHEBI:50905)
diethyl phthalate (CHEBI:34698) is a diester (CHEBI:51307)
diethyl phthalate (CHEBI:34698) is a ethyl ester (CHEBI:23990)
diethyl phthalate (CHEBI:34698) is a phthalate ester (CHEBI:35484)
IUPAC Name
diethyl benzene-1,2-dicarboxylate
Synonyms Sources
1,2-Benzenedicarboxylic acid diethyl ester ChemIDplus
1,2-Diethyl phthalate NIST Chemistry WebBook
DEP ChEBI
Diethyl 1,2-benzenedicarboxylate KEGG COMPOUND
diethyl benzene-1,2-dicarboxylate ChEBI
Diethyl o-phthalate ChemIDplus
Diethyl phthalate KEGG COMPOUND
Ethyl phthalate ChemIDplus
o-Benzenedicarboxylic acid diethyl ester ChemIDplus
o-Benzenedicarboxylic acid diethyl ester NIST Chemistry WebBook
o-Bis(ethoxycarbonyl)benzene ChemIDplus
Phthalic acid diethyl ester ChemIDplus
Phthalsäurediäthylester ChemIDplus
Manual Xrefs Databases
C14175 KEGG COMPOUND
D03804 KEGG DRUG
Diethyl_phthalate Wikipedia
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Registry Numbers Types Sources
1912500 Reaxys Registry Number Reaxys
1912500 Beilstein Registry Number Beilstein
261704 Gmelin Registry Number Gmelin
84-66-2 CAS Registry Number KEGG COMPOUND
84-66-2 CAS Registry Number ChemIDplus
84-66-2 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
16784196 PubMed citation Europe PMC
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Last Modified
24 August 2017