Consensus flow list

Identity

Type
NeutralMolecule
CAS
64470-88-8
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IVDRCZNHVGQBHZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3
IUPAC name chemrof:IUPAC_name 2-butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate
Molecular formula chemrof:molecular_formula C13H16Cl3NO4
Molecular mass chemrof:molecular_mass 356.633
Monoisotopic mass chemrof:monoisotopic_mass 355.014491
SMILES string chemrof:smiles_string CCCCOCCOC(=O)COc1nc(Cl)c(Cl)cc1Cl

Known URLs

9

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=64470-88-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.059.095 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0963 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5032579 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184836 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6PJY10R5MV enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.125H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/47455 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q26840778 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
fadf8715-b983-40e4-ad7c-4dc39455ac57 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
43cf695c-e67c-4af2-bdb6-4c3d665cd230 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4d2bec0b-3ea8-451d-babe-ee9ccc942e55 Environmental → Air → Indoor EF 3.1 kg 2
4ef2c063-47fc-4e7d-8e7c-1f4a8888e6c0 Environmental → Air → Long-term EF 3.1 kg 0
018ab8a6-f320-4110-abac-caacf22b4e03 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
923b5650-c0b7-4c0f-be0e-e86c0060d69c Environmental → Air → Unknown EF 3.1 kg 2
bc4df034-5113-4235-a4c9-26fcee9fff41 Environmental → Ground → Agricultural EF 3.1 kg 2
ab198375-3637-4667-8f57-52f481ad69cf Environmental → Ground → Non-agricultural EF 3.1 kg 2
6ea702d4-3f5d-48b9-8275-5fcec7aab5e2 Environmental → Ground → Unknown EF 3.1 kg 2
002d7885-5e10-4537-a3eb-6b43fee7e23a Environmental → Water → Long-term EF 3.1 kg 0
e9206074-afcc-45d9-bc87-28987f8ef9c4 Environmental → Water → Ocean EF 3.1 kg 2
2e1dfdff-3ab9-41f2-ade0-38cefea9ab80 Environmental → Water → Surface water EF 3.1 kg 2
d9be71a3-3366-474d-85e9-61837b8fad88 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-9109e09708c9aecc",
  "prefLabel": [
    {
      "@value": "2-butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [],
  "properties": {
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      "@value": [
        "C13H16Cl3NO4"
      ],
      "attested_by": {
        "C13H16Cl3NO4": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "IVDRCZNHVGQBHZ-UHFFFAOYSA-N"
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      "attested_by": {
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      },
      "rdfs:label": "InChIKey",
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    },
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    "https://w3id.org/chemrof/inchi2d_string": {
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      ],
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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        ]
      },
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      ],
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOCCOC(=O)COc1nc(Cl)c(Cl)cc1Cl"
          ]
        }
      ],
      "attested_by": {
        "355.014491": [
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          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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  "created_from": {
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    "seed_uuid": "002d7885-5e10-4537-a3eb-6b43fee7e23a",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "classifications": {
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      "rdfs:seeAlso": [
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  "@type": [
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  ]
}

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