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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:70973 - monoethyl phthalate
Main
ChEBI Ontology
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ChEBI Name
monoethyl phthalate
ChEBI ID
CHEBI:70973
Definition
A phthalic acid monoester resulting from the condensation of one of the carboxy groups of phthalic acid with ethanol.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C10H10O4
Net Charge
0
Average Mass
194.184
Monoisotopic Mass
194.05791
InChI
InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)
InChIKey
YWWHKOHZGJFMIE-UHFFFAOYSA-N
SMILES
C=1C=CC(=C(C1)C(=O)OCC)C(=O)O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application
(s):
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
monoethyl phthalate (
CHEBI:70973
)
has role
metabolite (
CHEBI:25212
)
monoethyl phthalate (
CHEBI:70973
)
is a
ethyl ester (
CHEBI:23990
)
monoethyl phthalate (
CHEBI:70973
)
is a
phthalic acid monoester (
CHEBI:132610
)
IUPAC Name
2-(ethoxycarbonyl)benzoic acid
Synonyms
Sources
mEtP
ChEBI
phthalic acid monoethyl ester
ChemIDplus
Manual Xref
Database
HMDB0002120
HMDB
View more database links
Registry Numbers
Types
Sources
1956404
Reaxys Registry Number
Reaxys
2306-33-4
CAS Registry Number
ChemIDplus
Citations
Types
Sources
19223940
PubMed citation
Europe PMC
20185384
PubMed citation
Europe PMC
20354564
PubMed citation
Europe PMC
20368132
PubMed citation
Europe PMC
20392686
PubMed citation
Europe PMC
20493630
PubMed citation
Europe PMC
20574658
PubMed citation
Europe PMC
20701950
PubMed citation
Europe PMC
20797930
PubMed citation
Europe PMC
20822678
PubMed citation
Europe PMC
21395215
PubMed citation
Europe PMC
21429484
PubMed citation
Europe PMC
21429583
PubMed citation
Europe PMC
21440302
PubMed citation
Europe PMC
21524797
PubMed citation
Europe PMC
21575223
PubMed citation
Europe PMC
21955883
PubMed citation
Europe PMC
22054055
PubMed citation
Europe PMC
22222007
PubMed citation
Europe PMC
22262702
PubMed citation
Europe PMC
22421452
PubMed citation
Europe PMC
22498808
PubMed citation
Europe PMC
22612475
PubMed citation
Europe PMC
22770225
PubMed citation
Europe PMC
Last Modified
16 July 2016