Consensus flow list

Identity

Type
Neutral molecule
CAS
93-79-8
EC
202-277-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Butyl 2,4,5-trichlorophenoxyacetate

Alternative labels

17

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FNEXNZUHBCBQTI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H13Cl3O3/c1-2-3-4-17-12(16)7-18-11-6-9(14)8(13)5-10(11)15/h5-6H,2-4,7H2,1H3
IUPAC name chemrof:IUPAC_name Butyl 2,4,5-trichlorophenoxyacetate
Molecular formula chemrof:molecular_formula C12H13Cl3O3
Molecular mass chemrof:molecular_mass 311.592
Monoisotopic mass chemrof:monoisotopic_mass 309.993027
SMILES string chemrof:smiles_string CCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl

Known URLs

8

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=93-79-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.071 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7026073 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=190448 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/M64EJ224KL enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.942J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7161 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q26841306 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
094ffeda-0bf8-4b86-849d-b709fab0cf17 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
66371fac-6ad7-4eed-98cb-ffaaace1f395 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8c2265ff-5529-4ee9-9ee4-1e4b4e3d6594 Environmental → Air → Indoor EF 3.1 kg 2
a54c54e5-b387-4943-ab2c-ab9b500634a5 Environmental → Air → Long-term EF 3.1 kg 0
0d768916-bac4-4324-bc1a-de31503438c3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
40cd55dd-0817-48a2-aabf-5b270a9a5c80 Environmental → Air → Unknown EF 3.1 kg 2
2bc03629-69c1-43c4-97ee-964c7a60c4c7 Environmental → Ground → Agricultural EF 3.1 kg 2
a7bd1e67-8998-4160-9155-f0e6c9ab06de Environmental → Ground → Non-agricultural EF 3.1 kg 2
3d671730-c409-4b1f-b854-ca133d213004 Environmental → Ground → Unknown EF 3.1 kg 2
381f471d-b58b-427d-8ce9-82e87d271148 Environmental → Water → Long-term EF 3.1 kg 0
fec447b1-cb87-41a5-8c48-3eaead3cb6e5 Environmental → Water → Ocean EF 3.1 kg 2
b993350f-fe87-4083-ae35-7d86332037c8 Environmental → Water → Surface water EF 3.1 kg 2
3faf8284-e926-499b-ac82-f6b5139c31a1 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
{
  "flow_object_id": "fo-e1710276bfeeb0da",
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      "@value": "Butyl 2,4,5-trichlorophenoxyacetate",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2,4,5-Trichlorophenoxy)acetic acid butyl ester",
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    },
    {
      "@value": "2,4,5-T Butyl ester",
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    {
      "@value": "Krzewotoks",
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      "@value": "Tormona",
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    "seed_uuid": "094ffeda-0bf8-4b86-849d-b709fab0cf17",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "93-79-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=93-79-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=93-79-8"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "202-277-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=202-277-5"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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