CHEBI:17243 - mono(2-ethylhexyl) phthalate

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ChEBI Name mono(2-ethylhexyl) phthalate ChEBI ID CHEBI:17243 Definition The mono(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1094, CHEBI:11575 Supplier Information No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H22O4 Net Charge 0 Average Mass 278.34348 Monoisotopic Mass 278.15181 InChI InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18) InChIKey DJDSLBVSSOQSLW-UHFFFAOYSA-N SMILES CCCCC(CC)COC(=O)c1ccccc1C(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 mono(2-ethylhexyl) phthalate (CHEBI:17243) has functional parent 2-ethylhexan-1-ol (CHEBI:16011) mono(2-ethylhexyl) phthalate (CHEBI:17243) is a phthalic acid monoester (CHEBI:132610) mono(2-ethylhexyl) phthalate (CHEBI:17243) is conjugate acid of mono(2-ethylhexyl) phthalate(1−) (CHEBI:58071) Incoming mono(2-ethylhexyl) phthalate(1−) (CHEBI:58071) is conjugate base of mono(2-ethylhexyl) phthalate (CHEBI:17243) IUPAC Name 2-(2-ethylhexyloxycarbonyl)benzoic acid Synonyms Sources (2-ethylhexyl) hydrogen phthalate ChemIDplus 1,2-benzenedicarboxylic acid, mono(2-ethylhexyl) ester NIST Chemistry WebBook 2-([(2-ethylhexyl)oxy]carbonyl)benzoic acid NIST Chemistry WebBook 2-ethylhexyl hydrogen phthalate ChemIDplus 2-Ethylhexyl phthalate KEGG COMPOUND MEHP NIST Chemistry WebBook mono(2-ethylhexyl)phthalate ChemIDplus mono-(2-ethylhexyl)phthalate ChemIDplus mono-2-ethylhexyl phthalate ChemIDplus monoethylhexyl phthalate ChemIDplus phthalic acid, 2-ethylhexyl ester ChemIDplus Manual Xrefs Databases C03343 KEGG COMPOUND LSM-36855 LINCS View more database links Registry Numbers Types Sources 3206630 Beilstein Registry Number Beilstein 4376-20-9 CAS Registry Number NIST Chemistry WebBook 4376-20-9 CAS Registry Number ChemIDplus Last Modified 16 July 2016