monoethyl phthalate (CHEBI:70973)

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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.

Supplier Information

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Formula

C10H10O4

Net Charge

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 (Bronsted 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 )

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

Last Modified

16 July 2016