Consensus flow list

Carbamic Acid, N-[(butylthio)thioxomethyl]-, Butyl Ester

b93510fb-2481-4a50-a539-55f6c8422441

Identity

Substance
fo-612431a8fd797a4f Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Water → Surface water
CAS
1001320-38-2
EC
691-061-8

Context

Dimension
Environmental
Media
Water
Water body
Surface water

Alternative labels

1

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 b93510fb-2481-4a50-a539-55f6c8422441 carbamic acid, n-[(butylthio)thioxomethyl]-, butyl ester 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 b93510fb-2481-4a50-a539-55f6c8422441 carbamic acid, n-[(butylthio)thioxomethyl]-, butyl ester Emissions/Emissions to water/Emissions to fresh water exactMatch —

Characterisation factors

4

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 — 276,150 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater — 276,150 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics — 276,150 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics — 276,150 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": "Butyl <em>N</em>-[(butylthio)thioxomethyl]carbamate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1001320-38-2",
          "https://commonchemistry.cas.org/detail?cas_rn=1001320-38-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H19NO2S2"
      ],
      "attested_by": {
        "C10H19NO2S2": [
          "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:87668466"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOC(=O)NC(=S)SCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "IMEBVVBPRQAYFY-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "IMEBVVBPRQAYFY-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:87668466"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOC(=O)NC(=S)SCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCOC(=O)NC(=S)SCCCC"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Carbamic Acid, N-[(butylthio)thioxomethyl]-, Butyl Ester"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOC(=O)NC(=S)SCCCC"
          ]
        }
      ],
      "attested_by": {
        "CCCCOC(=O)NC(=S)SCCCC": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C10H19NO2S2/c1-3-5-7-13-9(12)11-10(14)15-8-6-4-2/h3-8H2,1-2H3,(H,11,12,14)"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Carbamic Acid, N-[(butylthio)thioxomethyl]-, Butyl Ester"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOC(=O)NC(=S)SCCCC"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C10H19NO2S2/c1-3-5-7-13-9(12)11-10(14)15-8-6-4-2/h3-8H2,1-2H3,(H,11,12,14)": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Carbamic Acid, N-[(butylthio)thioxomethyl]-, Butyl Ester"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Carbamic Acid, N-[(butylthio)thioxomethyl]-, Butyl Ester"
        ]
      },
      "attested_by": {
        "Carbamic Acid, N-[(butylthio)thioxomethyl]-, Butyl Ester": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        249.401
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOC(=O)NC(=S)SCCCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOC(=O)NC(=S)SCCCC"
          ]
        }
      ],
      "attested_by": {
        "249.401": [
          "rdkit_post_consensus",
          "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": [
        249.085721
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOC(=O)NC(=S)SCCCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOC(=O)NC(=S)SCCCC"
          ]
        }
      ],
      "attested_by": {
        "249.085721": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.218.531",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87668466;CAS:1001320-38-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1001320-38-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=1001320-38-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87668466;CAS:1001320-38-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1001320-38-2]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID50893601",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87668466;CAS:1001320-38-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1001320-38-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/87668466",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87668466;CAS:1001320-38-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1001320-38-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q81987702",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87668466;CAS:1001320-38-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1001320-38-2]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Carbamic Acid, N-[(butylthio)thioxomethyl]-, Butyl Ester",
      "@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": "b93510fb-2481-4a50-a539-55f6c8422441",
  "identifier": "b93510fb-2481-4a50-a539-55f6c8422441",
  "source": "EF 3.1",
  "cas_numbers": [
    "1001320-38-2"
  ],
  "ec_numbers": [
    "691-061-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Surface water"
  },
  "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": 276150.0
    },
    {
      "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": 276150.0
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-suwa",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-612431a8fd797a4f",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/b93510fb-2481-4a50-a539-55f6c8422441",
        "skos:prefLabel": "carbamic acid, n-[(butylthio)thioxomethyl]-, butyl ester",
        "context": "Emissions/Emissions to water/Emissions to fresh water",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/b93510fb-2481-4a50-a539-55f6c8422441"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/b93510fb-2481-4a50-a539-55f6c8422441"
      },
      "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": "normalise_property_values",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "1001320-38-2": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "carbamic acid, n-[(butylthio)thioxomethyl]-, butyl ester",
    "synonyms": [
      "organic",
      "maxgold(r)",
      "s-10903"
    ],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to fresh water"
    ],
    "cas_numbers": [
      "1001320-38-2"
    ],
    "ec_numbers": [
      "691-061-8"
    ],
    "unit": "kg"
  }
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.