CHEBI:34687 - dibutyl phthalate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dibutyl phthalate
ChEBI ID CHEBI:34687
Definition A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:535597
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C16H22O4
Net Charge 0
Average Mass 278.34350
Monoisotopic Mass 278.152
InChI InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKey DOIRQSBPFJWKBE-UHFFFAOYSA-N
SMILES CCCCOC(=O)c1ccccc1C(=O)OCCCC
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
EC 3.2.1.20 (alpha-glucosidase) inhibitor
An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of alpha-glucosidase (EC 3.2.1.20).
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 dibutyl phthalate (CHEBI:34687) has functional parent butan-1-ol (CHEBI:28885)
dibutyl phthalate (CHEBI:34687) has role EC 3.2.1.20 (α-glucosidase) inhibitor (CHEBI:67239)
dibutyl phthalate (CHEBI:34687) has role environmental contaminant (CHEBI:78298)
dibutyl phthalate (CHEBI:34687) has role metabolite (CHEBI:25212)
dibutyl phthalate (CHEBI:34687) has role plasticiser (CHEBI:79056)
dibutyl phthalate (CHEBI:34687) has role teratogenic agent (CHEBI:50905)
dibutyl phthalate (CHEBI:34687) is a diester (CHEBI:51307)
dibutyl phthalate (CHEBI:34687) is a phthalate ester (CHEBI:35484)
IUPAC Name
dibutyl benzene-1,2-dicarboxylate
Synonyms Sources
1,2-Benzenedicarboxylic acid dibutyl ester ChemIDplus
Benzene-o-dicarboxylic acid di-n-butyl ester NIST Chemistry WebBook
Benzene-o-dicarboxylic acid di-n-butyl ester ChemIDplus
Benzenedicarboxylic acid dibutyl ester NIST Chemistry WebBook
Butyl phthalate ChemIDplus
DBP ChEBI
Di-n-butyl phthalate KEGG COMPOUND
Dibutyl 1,2-benzenedicarboxylate KEGG COMPOUND
Dibutyl o-phthalate NIST Chemistry WebBook
Dibutyl phthalate KEGG COMPOUND
Dibutyl-o-phthalate ChemIDplus
n-Butyl phthalate ChemIDplus
o-Benzenedicarboxylic acid dibutyl ester NIST Chemistry WebBook
o-Benzenedicarboxylic acid dibutyl ester ChemIDplus
Phthalic acid di-n-butyl ester NIST Chemistry WebBook
Phthalic acid dibutyl ester NIST Chemistry WebBook
Database Links Databases
4414 DrugCentral
C14214 KEGG COMPOUND
Dibutyl_phthalate Wikipedia
HMDB0033244 HMDB
View more database links
Registry Numbers Types Sources
1914064 Reaxys Registry Number Reaxys
1914064 Beilstein Registry Number Beilstein
262569 Gmelin Registry Number Gmelin
84-74-2 CAS Registry Number ChemIDplus
84-74-2 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
11133400 PubMed citation Europe PMC
16232742 PubMed citation Europe PMC
19840837 PubMed citation Europe PMC
24213843 PubMed citation Europe PMC
24468924 PubMed citation Europe PMC
24616073 PubMed citation Europe PMC
26730679 PubMed citation Europe PMC
27655612 PubMed citation Europe PMC
28102498 PubMed citation Europe PMC
28363850 PubMed citation Europe PMC
28486587 PubMed citation Europe PMC
28566680 PubMed citation Europe PMC
28580302 PubMed citation Europe PMC
28753974 PubMed citation Europe PMC
28822891 PubMed citation Europe PMC
28823096 PubMed citation Europe PMC
Last Modified
24 August 2017