CHEBI:132604 - monohexyl phthalate

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ChEBI Name monohexyl phthalate ChEBI ID CHEBI:132604 Definition A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of hexanol. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H18O4 Net Charge 0 Average Mass 250.291 Monoisotopic Mass 250.12051 InChI InChI=1S/C14H18O4/c1-2-3-4-7-10-18-14(17)12-9-6-5-8-11(12)13(15)16/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16) InChIKey XOSNGXNHDRYFEF-UHFFFAOYSA-N SMILES C1(=CC=CC=C1C(=O)OCCCCCC)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 ) 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 monohexyl phthalate (CHEBI:132604) has functional parent hexan-1-ol (CHEBI:87393) monohexyl phthalate (CHEBI:132604) is a phthalic acid monoester (CHEBI:132610) IUPAC Name 2-[(hexyloxy)carbonyl]benzoic acid Synonyms Sources 1,2-Benzenedicarboxylic acid, monohexyl ester ChemIDplus 2-(Hexyloxycarbonyl)benzoic acid NIST Chemistry WebBook Hexyl hydrogen phthalate ChemIDplus mono-n-hexyl phthalate ChEBI phthalic acid monohexyl ester ChEBI Registry Numbers Types Sources 24539-57-9 CAS Registry Number ChemIDplus 24539-57-9 CAS Registry Number NIST Chemistry WebBook 3301470 Reaxys Registry Number Reaxys Citation Type Source 3741483 PubMed citation Europe PMC Last Modified 16 July 2016