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 222.089
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
Database Links 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
19840837 PubMed citation Europe PMC
23880707 PubMed citation Europe PMC
24418706 PubMed citation Europe PMC
26004250 PubMed citation Europe PMC
26730679 PubMed citation Europe PMC
27639077 PubMed citation Europe PMC
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28580013 PubMed citation Europe PMC
Last Modified
24 August 2017