Consensus flow list

Identity

Substance
fo-9d993df0d4f40676 NeutralMolecule
Source
EF 3.1
Unit
kg
Context
Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS
42125-46-2
EC
255-670-9

Context

Dimension
Environmental
Media
Air
Population density
Urban (>1000 people/square mile)
Strata
Ground level

Alternative labels

4

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 e92b378b-2373-449c-a72b-28522f58bf2b 4-tert-butylcyclohexyl chlorocarbonate 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 e92b378b-2373-449c-a72b-28522f58bf2b 4-tert-butylcyclohexyl chlorocarbonate Emissions/Emissions to air/Emissions to urban air close to ground exactMatch

History

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

Open the changes page

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Full record

Flow JSON
{
  "altLabel": [
    {
      "@value": "4-(1,1-Dimethylethyl)cyclohexyl carbonochloridate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:42125-46-2",
          "https://commonchemistry.cas.org/detail?cas_rn=42125-46-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-tert-Butylcyclohexyl chloroformate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:42125-46-2",
          "https://commonchemistry.cas.org/detail?cas_rn=42125-46-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbonochloridic acid, 4-(1,1-dimethylethyl)cyclohexyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:42125-46-2",
          "https://commonchemistry.cas.org/detail?cas_rn=42125-46-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Formic acid, chloro-, 4-tert-butylcyclohexyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:42125-46-2",
          "https://commonchemistry.cas.org/detail?cas_rn=42125-46-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H19ClO2"
      ],
      "attested_by": {
        "C11H19ClO2": [
          "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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        }
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "YXFSGPPQRCUVRL-UHFFFAOYSA-N"
      ],
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      "rdfs:label": "InChIKey",
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    },
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      "rdfs:label": "SMILES",
      "@value": [
        "CC(C)(C)C1CCC(OC(=O)Cl)CC1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4-tert-butylcyclohexyl Chlorocarbonate"
          ]
        },
        {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C11H19ClO2/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h8-9H,4-7H2,1-3H3"
      ],
      "provenance": [
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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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        ]
      },
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          ]
        },
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          ]
        }
      ],
      "attested_by": {
        "218.724": [
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          "rdkit_pre_consensus"
        ]
      },
      "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": [
        218.107358
      ],
      "provenance": [
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        },
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          ]
        }
      ],
      "attested_by": {
        "218.107358": [
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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        ],
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  ],
  "prefLabel": [
    {
      "@value": "4-tert-butylcyclohexyl Chlorocarbonate",
      "@language": "en",
      "source": {
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        "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": "e92b378b-2373-449c-a72b-28522f58bf2b",
  "identifier": "e92b378b-2373-449c-a72b-28522f58bf2b",
  "source": "EF 3.1",
  "cas_numbers": [
    "42125-46-2"
  ],
  "ec_numbers": [
    "255-670-9"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Urban (>1000 people/square mile)"
  },
  "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": 14.021
    },
    {
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      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 14.021
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-9d993df0d4f40676",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
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        "skos:prefLabel": "4-tert-butylcyclohexyl chlorocarbonate",
        "context": "Emissions/Emissions to air/Emissions to urban air close to ground",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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  ],
  "_sources": {
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    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "normalise_property_values",
    "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": {
    "42125-46-2": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "4-tert-butylcyclohexyl chlorocarbonate",
    "synonyms": [
      "organic",
      "4-tert-butylcyclohexylchloroformate",
      "carbonochloridicacid,4-(1,1-dimethylethyl)cyclohexylester(9ci)",
      "formicacid,chloro-,4-tert-butylcyclohexylester(7ci)",
      "p-tert.butylcyclohexylchlorformiat"
    ],
    "context": [
      "Emissions",
      "Emissions to air",
      "Emissions to urban air close to ground"
    ],
    "cas_numbers": [
      "42125-46-2"
    ],
    "ec_numbers": [
      "255-670-9"
    ],
    "unit": "kg"
  }
}

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