Metolachlor

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

2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)-o-acetotoluidine
2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)acetamide
Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)-
Codal
Dual
Dual 720EC
Dual 960 EC
Dual II
Dual Magnum
Dual Triple
Jindual
Metetilachlor
Metoken
N-(1-Methyl-2-methoxyethyl)-N-chloroacetyl-2-ethyl-6-methylaniline
Pennant
rac-2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
Yibingjiacaoan

Property	Value
InChI2D key string chemrof:inchi2d_key_string	WVQBLGZPHOPPFO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3
IUPAC name chemrof:IUPAC_name	rac-2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
Molecular formula chemrof:molecular_formula	C15H22ClNO2
Molecular mass chemrof:molecular_mass	283.799
Monoisotopic mass chemrof:monoisotopic_mass	283.133907
SMILES string chemrof:smiles_string	CCc1cccc(C)c1N(C(=O)CCl)C(C)COC

Where 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=51218-45-2	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:6902	enrich_references.chebi_id_link
KEGG	https://www.genome.jp/entry/C10953	enrich_references.chebi_xrefs
pesticides	pesticides:metolachlor	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/24378469	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/24720218	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/25275369	enrich_references.chebi_xrefs
reaxys	reaxys:2743537	enrich_references.chebi_xrefs
Wikipedia	https://en.wikipedia.org/wiki/Metolachlor	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
3e4d5088-6556-11dd-ad8b-0800200c9a66	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
fe0acd60-3ddc-11dd-afee-0050c2490048	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
0cf71678-716e-4ff4-81d5-9c24964511c0	Environmental → Air → Indoor	EF 3.1	kg	4
fe0acd60-3ddc-11dd-afed-0050c2490048	Environmental → Air → Long-term	EF 3.1	kg	0
fe0acd60-3ddc-11dd-afef-0050c2490048	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
fe0acd60-3ddc-11dd-afec-0050c2490048	Environmental → Air → Unknown	EF 3.1	kg	4
fe0acd60-3ddc-11dd-afea-0050c2490048	Environmental → Ground → Agricultural	EF 3.1	kg	4
fe0acd60-3ddc-11dd-afd2-0050c2490048	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
a74305a7aeae5e300aeaeac138c1a23d974fb396	Environmental → Ground → Silvicultural	ecoinvent algorithm addition	kg	0
fe0acd60-3ddc-11dd-afeb-0050c2490048	Environmental → Ground → Unknown	EF 3.1	kg	4
fe0acd60-3ddc-11dd-aff1-0050c2490048	Environmental → Water → Long-term	EF 3.1	kg	0
fe0acd60-3ddc-11dd-afd3-0050c2490048	Environmental → Water → Ocean	EF 3.1	kg	4
fe0acd60-3ddc-11dd-aff0-0050c2490048	Environmental → Water → Surface water	EF 3.1	kg	4
fc9cae3d26ecaeac47279f781ec9bf1ad8cc1185	Environmental → Water → Unconfined aquifer	ecoinvent algorithm addition	kg	0
fe0acd60-3ddc-11dd-afd1-0050c2490048	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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          "http://purl.obolibrary.org/obo/CHEBI_6902"
        ],
        "prov:wasDerivedFrom": "chebi.id"
      }
    },
    {
      "@id": "https://www.genome.jp/entry/C10953",
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        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
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        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_6902"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
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    },
    {
      "@id": "pesticides:metolachlor",
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    },
    {
      "@id": "reaxys:2743537",
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0cf71678-716e-4ff4-81d5-9c24964511c0",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
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    }
  },
  "classifications": {
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        "51218-45-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=51218-45-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      ],
      "provenance": {
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      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "257-060-8"
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      ],
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        "prov:wasDerivedFrom": "ec_numbers"
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  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A racemate that consists of equimolar amounts of (R)- and (S)-metolachlor.",
      "@language": "en",
      "provenance": {
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      }
    }
  ],
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  ],
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      "@id": "http://purl.obolibrary.org/obo/CHEBI_78298",
      "rdfs:label": "environmental contaminant",
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    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_24527",
      "rdfs:label": "herbicide",
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    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
      "rdfs:label": "pesticide",
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      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    }
  ]
}

Metolachlor

Identity

Structure

What it is used for

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard