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
Download Molfile XML SDF
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