Consensus flow list

2-hexyl Decanoic Acid [4-(6-tert-butyl-7-chloro-1h- Pyrazolo[1,5-b][1,2,4] Triazol-2-yl) Phenylcarbamoyl] Methylester

db5ef73c-c770-49d0-9a9c-3465181cdd30

Identity

Substance
fo-e2b80bb905a38e56 Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Ground → Unknown
CAS
379268-96-9
EC
448-260-8

Context

Dimension
Environmental
Geography
Unknown
Media
Ground

Alternative labels

3

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 db5ef73c-c770-49d0-9a9c-3465181cdd30 2-hexyl decanoic acid [4-(6-tert-butyl-7-chloro-1h- pyrazolo[1,5-b][1,2,4] triazol-2-yl) phenylcarbamoyl] methylester The consensus list is built from this one, so this row is the flow itself rather than something matched to it.

Concept associations

1
Source list Source flow Name there Compartment there Match Conversion
EF 3.1 db5ef73c-c770-49d0-9a9c-3465181cdd30 2-hexyl decanoic acid [4-(6-tert-butyl-7-chloro-1h- pyrazolo[1,5-b][1,2,4] triazol-2-yl) phenylcarbamoyl] methylester Emissions/Emissions to soil/Emissions to soil, unspecified exactMatch —

Characterisation factors

8

Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.

Method Implementation Category Place Factor Published as
EF 3.1 European Commission — JRC Ecotoxicity, freshwater — 14.299 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater — 14.299 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics — 14.299 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics — 14.299 sole
EF 3.1 European Commission — JRC Human toxicity, non-cancer — 1.9384e-09 —
EF 3.1 consensus-flow-list Human toxicity, non-cancer — 1.9384e-09 sole
EF 3.1 European Commission — JRC Human toxicity, non-cancer_organics — 1.9384e-09 —
EF 3.1 consensus-flow-list Human toxicity, non-cancer_organics — 1.9384e-09 sole

This flow in the difference report

History

The change log and the PROV-O trail (2 consensus changes)

Open the changes page

These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.

Full record

Flow JSON 
{
  "altLabel": [
    {
      "@value": "2-[[4-[7-Chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl 2-hexyldecanoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:379268-96-9",
          "https://commonchemistry.cas.org/detail?cas_rn=379268-96-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Decanoic acid, 2-hexyl-, 2-[[4-[7-chloro-6-(1,1-dimethylethyl)-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:379268-96-9",
          "https://commonchemistry.cas.org/detail?cas_rn=379268-96-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Decanoic acid, 2-hexyl-, 2-[[4-[7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:379268-96-9",
          "https://commonchemistry.cas.org/detail?cas_rn=379268-96-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C32H48ClN5O3"
      ],
      "attested_by": {
        "C32H48ClN5O3": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:58800829"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCC(CCCCCC)C(=O)OCC(=O)Nc1ccc(-c2nc3c(Cl)c(C(C)(C)C)nn3[nH]2)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GNKWZTKPIRTZBI-UHFFFAOYSA-N",
        "YSMXWRVHMQSPJL-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "GNKWZTKPIRTZBI-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "YSMXWRVHMQSPJL-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:58800829"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCC(CCCCCC)C(=O)OCC(=O)Nc1ccc(-c2nc3c(Cl)c(C(C)(C)C)nn3[nH]2)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCCCC(CCCCCC)C(=O)OCC(=O)Nc1ccc(-c2nc3c(Cl)c(C(C)(C)C)nn3[nH]2)cc1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-[[4-[7-Chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl 2-hexyldecanoate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCC(CCCCCC)C(=O)OCC(=O)Nc1ccc(-c2nc3c(Cl)c(C(C)(C)C)nn3[nH]2)cc1"
          ]
        }
      ],
      "attested_by": {
        "CCCCCCCCC(CCCCCC)C(=O)OCC(=O)Nc1ccc(-c2nc3c(Cl)c(C(C)(C)C)nn3[nH]2)cc1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C32H48ClN5O3/c1-6-8-10-12-13-15-17-24(16-14-11-9-7-2)31(40)41-22-26(39)34-25-20-18-23(19-21-25)29-35-30-27(33)28(32(3,4)5)36-38(30)37-29/h18-21,24H,6-17,22H2,1-5H3,(H,34,39)(H,35,37)"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-[[4-[7-Chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl 2-hexyldecanoate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCC(CCCCCC)C(=O)OCC(=O)Nc1ccc(-c2nc3c(Cl)c(C(C)(C)C)nn3[nH]2)cc1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C32H48ClN5O3/c1-6-8-10-12-13-15-17-24(16-14-11-9-7-2)31(40)41-22-26(39)34-25-20-18-23(19-21-25)29-35-30-27(33)28(32(3,4)5)36-38(30)37-29/h18-21,24H,6-17,22H2,1-5H3,(H,34,39)(H,35,37)": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2-[[4-[7-Chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl 2-hexyldecanoate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2-[[4-[7-Chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl 2-hexyldecanoate"
        ]
      },
      "attested_by": {
        "2-[[4-[7-Chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl 2-hexyldecanoate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.055.092I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:58800829;CAS:379268-96-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[379268-96-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.104.157",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:58800829;CAS:379268-96-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[379268-96-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=379268-96-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "379268-96-9"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID601105897",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:58800829;CAS:379268-96-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[379268-96-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/58800829",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:58800829;CAS:379268-96-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[379268-96-9]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "2-hexyl Decanoic Acid [4-(6-tert-butyl-7-chloro-1h- Pyrazolo[1,5-b][1,2,4] Triazol-2-yl) Phenylcarbamoyl] Methylester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "db5ef73c-c770-49d0-9a9c-3465181cdd30",
  "identifier": "db5ef73c-c770-49d0-9a9c-3465181cdd30",
  "source": "EF 3.1",
  "cas_numbers": [
    "379268-96-9"
  ],
  "ec_numbers": [
    "448-260-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Unknown"
  },
  "synonyms": [],
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 14.299
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 1.9384e-9
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 1.9384e-9
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 14.299
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-e2b80bb905a38e56",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/db5ef73c-c770-49d0-9a9c-3465181cdd30",
        "skos:prefLabel": "2-hexyl decanoic acid [4-(6-tert-butyl-7-chloro-1h- pyrazolo[1,5-b][1,2,4] triazol-2-yl) phenylcarbamoyl] methylester",
        "context": "Emissions/Emissions to soil/Emissions to soil, unspecified",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/db5ef73c-c770-49d0-9a9c-3465181cdd30"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/db5ef73c-c770-49d0-9a9c-3465181cdd30"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "withhold_ambiguous_mass",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "dedupe_altlabels",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "379268-96-9": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "2-hexyl decanoic acid [4-(6-tert-butyl-7-chloro-1h- pyrazolo[1,5-b][1,2,4] triazol-2-yl) phenylcarbamoyl] methylester",
    "synonyms": [
      "organic",
      "2-hexyldecanoicacid[4-(6-tert-butyl-7-chloro-1h-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenylcarbamoyl]methylester",
      "um-235"
    ],
    "context": [
      "Emissions",
      "Emissions to soil",
      "Emissions to soil, unspecified"
    ],
    "cas_numbers": [
      "379268-96-9"
    ],
    "ec_numbers": [
      "448-260-8"
    ],
    "unit": "kg"
  }
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.