2-methyl-4-chlorophenoxybutyric acid (CHEBI:81806)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	2-methyl-4-chlorophenoxybutyric acid

ChEBI ID	CHEBI:81806

Definition	A monocarboxylic acid that is butyric acid substituted by a 2-methyl-4-chlorophenoxy group at position 4.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ChemicalBook:CB7123863, eMolecules:500879, ZINC000001680053

Download	Molfile XML SDF

Formula

C11H13ClO3

Net Charge

Average Mass

228.67200

Monoisotopic Mass

228.05532

InChI

InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)

InChIKey

LLWADFLAOKUBDR-UHFFFAOYSA-N

SMILES

Cc1cc(Cl)ccc1OCCCC(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):	xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.

Application(s):	phenoxy herbicide Any member of the class of herbicides whose members contain a phenoxy or substituted phenoxy group.

ChEBI Ontology
Outgoing	2-methyl-4-chlorophenoxybutyric acid (CHEBI:81806) has role environmental contaminant (CHEBI:78298) 2-methyl-4-chlorophenoxybutyric acid (CHEBI:81806) has role phenoxy herbicide (CHEBI:60575) 2-methyl-4-chlorophenoxybutyric acid (CHEBI:81806) has role xenobiotic (CHEBI:35703) 2-methyl-4-chlorophenoxybutyric acid (CHEBI:81806) is a aromatic ether (CHEBI:35618) 2-methyl-4-chlorophenoxybutyric acid (CHEBI:81806) is a monocarboxylic acid (CHEBI:25384) 2-methyl-4-chlorophenoxybutyric acid (CHEBI:81806) is a monochlorobenzenes (CHEBI:83403)

IUPAC Name

4-(4-chloro-2-methylphenoxy)butanoic acid

Synonyms	Sources
4-(4-chloro-o-tolyloxy)butyric acid	Alan Wood's Pesticides
MCPB	KEGG COMPOUND

Citation

Last Modified

18 November 2019