Consensus flow list

Identity

Substance
fo-056a00a97920ae9e Chemical salt
Source
EF 3.1
Unit
kg
Context
Environmental → Air → Indoor
CAS
102601-34-3
EC
700-631-8

Context

Dimension
Environmental
Indoor
Unknown
Media
Air

Alternative labels

2

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 e4357a67-2e35-4fb4-98ee-f1e29f2299a2 sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate 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 e4357a67-2e35-4fb4-98ee-f1e29f2299a2 sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate Emissions/Emissions to air/Emissions to air, indoor 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 147.57
EF 3.1 consensus-flow-list Ecotoxicity, freshwater 147.57 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics 147.57
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics 147.57 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": "1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:102601-34-3",
          "https://commonchemistry.cas.org/detail?cas_rn=102601-34-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, sodium salt (1:1)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:102601-34-3",
          "https://commonchemistry.cas.org/detail?cas_rn=102601-34-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H18NNaO4S",
        "C9H19NNaO4S"
      ],
      "attested_by": {
        "C9H19NNaO4S": [
          "enrich_references.pubchem_semantic"
        ],
        "C9H18NNaO4S": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:16219093"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=S(=O)([O-])CC(O)CNC1CCCCC1.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GGPORGHJKBOGDV-UHFFFAOYSA-M",
        "SPWKBIUYKDBPGP-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "SPWKBIUYKDBPGP-UHFFFAOYSA-N": [
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        ],
        "GGPORGHJKBOGDV-UHFFFAOYSA-M": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:16219093"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=S(=O)([O-])CC(O)CNC1CCCCC1.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=S(=O)([O-])CC(O)CNC1CCCCC1.[Na+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=S(=O)([O-])CC(O)CNC1CCCCC1.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "O=S(=O)([O-])CC(O)CNC1CCCCC1.[Na+]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C9H19NO4S.Na/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8;/h8-11H,1-7H2,(H,12,13,14);/q;+1/p-1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=S(=O)([O-])CC(O)CNC1CCCCC1.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C9H19NO4S.Na/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8;/h8-11H,1-7H2,(H,12,13,14);/q;+1/p-1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate"
        ]
      },
      "attested_by": {
        "Sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=102601-34-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16219093;CAS:102601-34-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[102601-34-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16219093",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16219093;CAS:102601-34-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[102601-34-3]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate",
      "@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/ChemicalSalt"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "e4357a67-2e35-4fb4-98ee-f1e29f2299a2",
  "identifier": "e4357a67-2e35-4fb4-98ee-f1e29f2299a2",
  "source": "EF 3.1",
  "cas_numbers": [
    "102601-34-3"
  ],
  "ec_numbers": [
    "700-631-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "indoor": "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": 147.57
    },
    {
      "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": 147.57
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-056a00a97920ae9e",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/e4357a67-2e35-4fb4-98ee-f1e29f2299a2",
        "skos:prefLabel": "sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate",
        "context": "Emissions/Emissions to air/Emissions to air, indoor",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/e4357a67-2e35-4fb4-98ee-f1e29f2299a2"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/e4357a67-2e35-4fb4-98ee-f1e29f2299a2"
      },
      "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": "consensus_match",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "102601-34-3": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate",
    "synonyms": [
      "1-propanesulfonicacid,3-(cyclohexylamino)-2-hydroxy-,monosodiumsalt",
      "3-(cyclohexylamino)-2-hydroxy-1-propanesulfonicacidsodiumsalt",
      "sodium3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate"
    ],
    "context": [
      "Emissions",
      "Emissions to air",
      "Emissions to air, indoor"
    ],
    "cas_numbers": [
      "102601-34-3"
    ],
    "ec_numbers": [
      "700-631-8"
    ],
    "unit": "kg"
  }
}

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