CHEBI:50099 - (4-chloro-2-methylphenoxy)acetic acid

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ChEBI Name (4-chloro-2-methylphenoxy)acetic acid
ChEBI ID CHEBI:50099
Definition A chlorophenoxyacetic acid that is (4-chlorophenoxy)acetic acid substituted by a methyl group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C9H9ClO3
Net Charge 0
Average Mass 200.61866
InChI InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKey WHKUVVPPKQRRBV-UHFFFAOYSA-N
SMILES Cc1cc(Cl)ccc1OCC(O)=O
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): synthetic auxin
A synthetic compound exhibiting auxin activity.
Application(s): herbicide
A substance used to destroy plant pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (4-chloro-2-methylphenoxy)acetic acid (CHEBI:50099) has role environmental contaminant (CHEBI:78298)
(4-chloro-2-methylphenoxy)acetic acid (CHEBI:50099) has role herbicide (CHEBI:24527)
(4-chloro-2-methylphenoxy)acetic acid (CHEBI:50099) has role synthetic auxin (CHEBI:26841)
(4-chloro-2-methylphenoxy)acetic acid (CHEBI:50099) is a chlorophenoxyacetic acid (CHEBI:23152)
(4-chloro-2-methylphenoxy)acetic acid (CHEBI:50099) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name
(4-chloro-2-methylphenoxy)acetic acid
Synonyms Sources
((4-chloro-o-tolyl)oxy)acetic acid ChemIDplus
(2-Methyl-4-chlorophenoxy)acetic acid KEGG COMPOUND
2,4-MCPA ChemIDplus
2-Methyl-4-chlorophenoxyacetic acid ChemIDplus
2-Methyl-4-chlorphenoxyessigsäure ChemIDplus
[(4-Chloro-o-tolyl)oxy]acetic acid NIST Chemistry WebBook
MCP ChemIDplus
MCPA ChemIDplus
Brand Name Source
Agroxone ChemIDplus
Database Links Databases
C18528 KEGG COMPOUND
GB573479 Patent
GB573510 Patent
mcpa Alan Wood's Pesticides
MCPA Wikipedia
US274810 Patent
View more database links
Registry Numbers Types Sources
2051752 Reaxys Registry Number Reaxys
2051752 Beilstein Registry Number Beilstein
94-74-6 CAS Registry Number KEGG COMPOUND
94-74-6 CAS Registry Number NIST Chemistry WebBook
94-74-6 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
15669026 PubMed citation CiteXplore
Last Modified
04 November 2014
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag