Consensus flow list

Identity

Type
NeutralMolecule
CAS
87237-48-7
EC
402-560-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Haloxyfop Ethoxyethyl Ester

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. 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

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MIJLZGZLQLAQCM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H19ClF3NO5/c1-3-26-8-9-27-18(25)12(2)28-14-4-6-15(7-5-14)29-17-16(20)10-13(11-24-17)19(21,22)23/h4-7,10-12H,3,8-9H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-ethoxyethyl (RS)-2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate
Molecular formula chemrof:molecular_formula C19H19ClF3NO5
Molecular mass chemrof:molecular_mass 433.81
Monoisotopic mass chemrof:monoisotopic_mass 433.090385
SMILES string chemrof:smiles_string CCOCCOC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1

Known URLs

6

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=87237-48-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:136739 enrich_references.chebi_id_link
pesticides pesticides:derivatives/haloxyfop-etotyl enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25903264 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26449612 enrich_references.chebi_xrefs
reaxys reaxys:8397167 enrich_references.chebi_xrefs

Elementary flows

15
Flow Context Source Unit CFs
64b1a732-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
64b1a734-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
888a94ff-19cf-4526-bff1-0ac30db3ca96 Environmental → Air → Indoor EF 3.1 kg 2
64b1a731-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Long-term EF 3.1 kg 0
64b1a733-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
64b1a730-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9450-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-9ee8-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ed327ee2195292a64987bf5fbe385df1c3dd13d7 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-9451-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9453-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-9ee9-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-9452-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
218c178fe769c99e69343a07b669f2f5c7a77c6b Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-9ee7-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
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    },
    {
      "@value": "2-ethoxyethyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate",
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      "@value": "A racemate comprising equimolar amounts of haloxyfop-P-etotyl and its less active enantiomer, (S)-haloxyfop-etotyl. It is a proherbicide (by ester hydrolysis to give the corresponding carboxylic acid) used to control annual and perennial grass weeds.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_136739"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://purl.obolibrary.org/obo/RO_0000087": [
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_33286",
      "rdfs:label": "agrochemical",
      "http://www.w3.org/2004/02/skos/core#definition": "An agrochemical is a substance that is used in agriculture or horticulture.",
      "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"
      }
    }
  ]
}

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