Monobutylphthalate (CHEBI:88522)

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ChEBI Name	Monobutylphthalate

ChEBI ID	CHEBI:88522

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

Supplier Information

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Formula

C12H14O4

Net Charge

Average Mass

222.238

Monoisotopic Mass

222.08921

InChI

InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)

InChIKey

YZBOVSFWWNVKRJ-UHFFFAOYSA-N

SMILES

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

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: National Health and Nutrition Examination Survey (NHANES Survey) 2013

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	Monobutylphthalate (CHEBI:88522) has functional parent butan-1-ol (CHEBI:28885) Monobutylphthalate (CHEBI:88522) is a phthalic acid monoester (CHEBI:132610)

Synonyms	Sources
-N-butyl-phthalate	HMDB
2-(Butoxycarbonyl)benzoate	HMDB
2-(butoxycarbonyl)benzoic acid	HMDB
2-(Butoxycarbonyl)benzoic acid	HMDB
Butyl hydrogen phthalate	HMDB
Mono-N-butyl phthalate	HMDB
MONOBUTYL PHTHALATE	HMDB
Phthalic acid Monobutyl Ester	HMDB
Phthalic acid, monobutyl ester	HMDB

Registry Number	Type	Source
131-70-4	CAS Registry Number	KEGG COMPOUND

Citation	Type	Source
11049818	PubMed citation	Europe PMC

Last Modified

16 July 2016