Monomethyl phthalate (CHEBI:89749)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	Monomethyl phthalate

ChEBI ID	CHEBI:89749

Stars	This entity has been manually annotated by a third party.

Supplier Information

Download	Molfile XML SDF

more structures >>

Wikipedia	License

Read full article at Wikipedia

Formulae

C9H8O4
C9H8O4

Net Charge

Average Mass

180.158

Monoisotopic Mass

180.04226

InChI

InChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)

InChIKey

FNJSWIPFHMKRAT-UHFFFAOYSA-N

SMILES

C=1C=CC(=C(C1)C(=O)OC)C(=O)O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in saliva (UBERON:0001836). See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Application(s):	endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system (via phthalate ester )

ChEBI Ontology
Outgoing	Monomethyl phthalate (CHEBI:89749) is a methyl ester (CHEBI:25248) Monomethyl phthalate (CHEBI:89749) is a phthalic acid monoester (CHEBI:132610)

Synonyms	Sources
2-(Methoxycarbonyl)benzoate	HMDB
2-(Methoxycarbonyl)benzoic acid	HMDB
2-(methoxycarbonyl)benzoic acid	HMDB
Methyl hydrogen phthalate	HMDB
Methyl phthalate	HMDB
Monomethyl 1,2-benzenedicarboxylate	HMDB
O-(Methoxycarbonyl)benzoate	HMDB
O-(Methoxycarbonyl)benzoic acid	HMDB

Registry Number	Type	Source
4376-18-5	CAS Registry Number	KEGG COMPOUND

Last Modified

16 July 2016