Consensus flow list

Identity

Type
NeutralMolecule
CAS
93-65-2
EC
202-264-4
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Mecoprop

What it is used for

3

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

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WNTGYJSOUMFZEP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
IUPAC name chemrof:IUPAC_name 2-(4-Chloro-2-tolyloxy)propionic acid
Molecular formula chemrof:molecular_formula C10H11ClO3
Molecular mass chemrof:molecular_mass 214.646, 214.648
Monoisotopic mass chemrof:monoisotopic_mass 214.03967, 214.039672
SMILES string chemrof:smiles_string Cc1cc(Cl)ccc1OC(C)C(=O)O

Known URLs

13

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=93-65-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75704 enrich_references.chebi_id_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75711 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18742 enrich_references.chebi_xrefs
pesticides pesticides:mecoprop enrich_references.chebi_xrefs
ppdb ppdb:430 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19962221 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21972828 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23312320 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23361178 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23422308 enrich_references.chebi_xrefs
reaxys reaxys:2212752 enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Mecoprop enrich_references.chebi_xrefs

Elementary flows

7
Flow Context Source Unit CFs
80a7e64f4075e9e26bb15be735360e3e69187ff8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
86c13e4bc87ea384f1212728cee95d93c835d502 Environmental → Air → Unknown ecoinvent algorithm addition kg 0
749be85ad17096d8c32650425c40f9b364ab5b62 Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
3a1498c685e20f0d31204f5b002bfd5dfd88f24e Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
089a4c9794ed0da5736042480b09af85e65518e5 Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
1bd8b6a30a70e6c63c4b7d4a830b3369c50540b2 Environmental → Water → Surface water ecoinvent algorithm addition kg 0
8770abcaeff49f5e9ed46b8c41fd9fa5ea4ac640 Environmental → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (0 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f967a68639f45d28",
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  "altLabel": [
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    {
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      "rule": "neutral_molecule",
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      ],
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    }
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      "@value": [
        "93-65-2"
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=93-65-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
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      ],
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    },
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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 monocarboxylic acid that is lactic acid in which the hydroxyl hydrogen is replaced by a 4-chloro-2-methylphenyl group.",
      "@language": "en",
      "provenance": {
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    },
    {
      "@value": "A racemate comprising equimolar amounts of (R)- and (S)-mecoprop.",
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  ],
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    {
      "@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": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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    },
    {
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      "http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy plant pests.",
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    },
    {
      "@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": {
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        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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