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CHEBI:70973 - monoethyl phthalate

ChEBI IDCHEBI:70973
ChEBI Namemonoethyl phthalate
Stars
DefinitionA phthalic acid monoester resulting from the condensation of one of the carboxy groups of phthalic acid with ethanol.
Last Modified16 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC10H10O4
Net Charge0
Average Mass194.186
Monoisotopic Mass194.05791
SMILESCCOC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)
InChIKeyYWWHKOHZGJFMIE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
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  Source
mEtPChEBI
phthalic acid monoethyl esterChemIDplus
Manual XrefsDatabases
HMDB0002120HMDB
Registry NumbersSources
Reaxys:1956404Reaxys
CAS:2306-33-4ChemIDplus
Citations