(4-Chloro-2-methylphenoxy)acetic acid
fo-2e894b4c3fe21b46
Identity
- Type
- Neutral molecule
- CAS
- 94-74-6
- EC
- 202-360-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 60 across every transformer
Structure
What it is used for
4
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| environmental contaminant CHEBI:78298 | Any minor or unwanted substance introduced into the environment that can have undesired effects. | ChEBI |
| herbicide CHEBI:24527 | A substance used to destroy plant pests. | ChEBI |
| pesticide CHEBI:25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | ChEBI |
| plant growth regulator CHEBI:26155 | A chemical, natural or artificial, that can affect the rate of growth of a plant. | ChEBI |
Alternative labels
40- ((4-chloro-o-tolyl)oxy)acetic acid
- (2-Methyl-4-chlorophenoxy)acetic acid
- 2,4-MCPA
- 2-(4-Chloro-2-methylphenoxy)acetic acid
- 2-methyl-4-chlorophenoxyacetic Acid
- 2-Methyl-4-chlorphenoxyessigsaeure
- 2M-4Ch
- 2M2Kh
- 2M4Kh
- [(4-Chloro-o-tolyl)oxy]acetic acid
- Acetic acid, (4-chloro-2-methylphenoxy)-
- Acetic acid, (4-chloro-o-toloxy)-
- Acetic acid, 2-(4-chloro-2-methylphenoxy)-
- Acetic acid, [(4-chloro-o-tolyl)oxy]-
- Agritox 50
- Agroxon
- Agroxone
- Anicon kombi
- Anicon M
- B-Selektonon M
- Chipton
- CMPA
- Dicopur M
- Emcepan
- Hedapur M 52
- Hedarex M
- Hedonal M
- Herbicide M
- Hormoneste
- Leuna M
- MCP (herbicide)
- MCPA
- MCPA (acid)
- MCPA (herbicide)
- Mecaphar
- Mephanac
- Metaxon
- Netazol
- Okultin M
- Rhonox
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | WHKUVVPPKQRRBV-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12) |
| IUPAC name chemrof:IUPAC_name | (4-Chloro-2-methylphenoxy)acetic acid |
| Molecular formula chemrof:molecular_formula | C9H9ClO3 |
| Molecular mass chemrof:molecular_mass | 200.621 |
| Monoisotopic mass chemrof:monoisotopic_mass | 200.02402, 200.024022 |
| SMILES string chemrof:smiles_string | Cc1cc(Cl)ccc1OCC(=O)O |
Known URLs
26Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=94-74-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:50099 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.146 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0054 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4024195 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2351 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL394657 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/D888C394VO | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0254366 | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2918.99.20.15 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J25.212C | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18528 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18528 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=57329 | enrich_references.pubchem_identifier_url |
| patent | patent:GB573479 | enrich_references.chebi_xrefs |
| patent | patent:GB573510 | enrich_references.chebi_xrefs |
| patent | patent:US274810 | enrich_references.chebi_xrefs |
| pesticides | pesticides:mcpa | enrich_references.chebi_xrefs |
| ppdb | ppdb:427 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7204 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3077 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017853 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15669026 | enrich_references.chebi_xrefs |
| reaxys | reaxys:2051752 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q149413 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/MCPA | enrich_references.chebi_xrefs |
Elementary flows
16| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e2fb52f4-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-af18-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 20aca4f5-70a5-406e-a731-802a14b0b82a | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-af17-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-af19-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-af16-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-9e65-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-af1d-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 48192fc7fc3476a68fe26f93ecbaffd476c5f191 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-9e66-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-af1b-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-af1e-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 5ce2b0c03856e82d84aa540a16fdb5af25b4794f | Environmental → Water → River | agribalyse algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-af1a-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 52a0464a719de81297ef1389b2045dc41105d969 | Environmental → Water → Unconfined aquifer | ecoinvent algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-af1c-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (60 changes)
Full record
Flow object JSON
{
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{
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{
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{
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},
{
"@value": "Agroxon",
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{
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{
"@value": "Anicon kombi",
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{
"@value": "Anicon M",
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},
{
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{
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},
{
"@value": "CMPA",
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},
{
"@value": "Dicopur M",
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},
{
"@value": "Emcepan",
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},
{
"@value": "Hedapur M 52",
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},
{
"@value": "Hedarex M",
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}
},
{
"@value": "Hedonal M",
"@language": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Herbicide M",
"@language": "en",
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"provenance": {
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}
},
{
"@value": "Hormoneste",
"@language": "en",
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"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Leuna M",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "MCP (herbicide)",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "MCPA",
"@language": "en",
"@lang": "en",
"provenance": {
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},
{
"@value": "MCPA (acid)",
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},
{
"@value": "MCPA (herbicide)",
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_50099"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://purl.obolibrary.org/obo/RO_0000087": [
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_78298",
"rdfs:label": "environmental contaminant",
"http://www.w3.org/2004/02/skos/core#definition": "Any minor or unwanted substance introduced into the environment that can have undesired effects.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_24527",
"rdfs:label": "herbicide",
"http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy plant pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
"rdfs:label": "pesticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_26155",
"rdfs:label": "plant growth regulator",
"http://www.w3.org/2004/02/skos/core#definition": "A chemical, natural or artificial, that can affect the rate of growth of a plant.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
}
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works