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> Main
CHEBI:34680 - dipentyl phthalate
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ChEBI Name
dipentyl phthalate
ChEBI ID
CHEBI:34680
Definition
A phthalate ester that is the dipentyl ester of benzene-1,2-dicarboxylic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H26O4
Net Charge
0
Average Mass
306.39660
Monoisotopic Mass
306.18311
InChI
InChI=1S/C18H26O4/c1-
3-
5-
9-
13-
21-
17(19)
15-
11-
7-
8-
12-
16(15)
18(20)
22-
14-
10-
6-
4-
2/h7-
8,11-
12H,3-
6,9-
10,13-
14H2,1-
2H3
InChIKey
IPKKHRVROFYTEK-UHFFFAOYSA-N
SMILES
CCCCCOC(=O)c1ccccc1C(=O)OCCCCC
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.
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
dipentyl phthalate (
CHEBI:34680
)
has functional parent
pentan-1-ol (
CHEBI:44884
)
dipentyl phthalate (
CHEBI:34680
)
has role
plasticiser (
CHEBI:79056
)
dipentyl phthalate (
CHEBI:34680
)
is a
diester (
CHEBI:51307
)
dipentyl phthalate (
CHEBI:34680
)
is a
phthalate ester (
CHEBI:35484
)
IUPAC Name
dipentyl benzene-1,2-dicarboxylate
Synonyms
Sources
1,2-Benzenedicarboxylic acid dipentyl ester
ChemIDplus
Amyl phthalate
ChemIDplus
di-n-Amyl phthalate
NIST Chemistry WebBook
Di-n-pentyl phthalate
KEGG COMPOUND
Diamyl phthalate
KEGG COMPOUND
DPNP
ChEBI
DPP
NIST Chemistry WebBook
Phthalic acid diamyl ester
ChemIDplus
Phthalic acid dipentyl ester
ChemIDplus
Manual Xref
Database
C14300
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
131-18-0
CAS Registry Number
ChemIDplus
131-18-0
CAS Registry Number
NIST Chemistry WebBook
1987323
Reaxys Registry Number
Reaxys
1987323
Beilstein Registry Number
Beilstein
Citations
Types
Sources
19840837
PubMed citation
Europe PMC
21177253
PubMed citation
Europe PMC
23696197
PubMed citation
Europe PMC
24116085
PubMed citation
Europe PMC
26454885
PubMed citation
Europe PMC
Last Modified
24 August 2017