Consensus flow list

Sodium 4-(6-ethyldecyl)benzenesulfonate

2fb2f315-04ee-4d33-bf57-57648238486d

Identity

Substance
fo-b02b20b8033a3716 Chemical salt
Source
EF 3.1
Unit
kg
Context
Environmental → Water → Long-term
CAS
68608-89-9
EC
271-808-0

Context

Dimension
Environmental
Media
Water
Water body
Long-term

Alternative labels

1

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 2fb2f315-04ee-4d33-bf57-57648238486d sodium 4-(6-ethyldecyl)benzenesulfonate 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 2fb2f315-04ee-4d33-bf57-57648238486d sodium 4-(6-ethyldecyl)benzenesulfonate Emissions/Emissions to water/Emissions to water, unspecified (long-term) 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 — 0 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater — 0 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics — 0 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics — 0 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": "Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., sodium salts",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68608-89-9",
          "https://commonchemistry.cas.org/detail?cas_rn=68608-89-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Sodium 4-(6-ethyldecyl)benzenesulfonate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Sodium 4-(6-ethyldecyl)benzenesulfonate"
        ]
      },
      "attested_by": {
        "Sodium 4-(6-ethyldecyl)benzenesulfonate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCC(CC)CCCCCc1ccc(S(=O)(=O)[O-])cc1.[Na+]"
      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium 4-(6-ethyldecyl)benzenesulfonate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCC(CC)CCCCCc1ccc(S(=O)(=O)[O-])cc1.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "CCCCC(CC)CCCCCc1ccc(S(=O)(=O)[O-])cc1.[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/C18H30O3S.Na/c1-3-5-9-16(4-2)10-7-6-8-11-17-12-14-18(15-13-17)22(19,20)21;/h12-16H,3-11H2,1-2H3,(H,19,20,21);/q;+1/p-1"
      ],
      "provenance": [
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          "prov:wasGeneratedBy": "opsin_iupac",
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          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCC(CC)CCCCCc1ccc(S(=O)(=O)[O-])cc1.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C18H30O3S.Na/c1-3-5-9-16(4-2)10-7-6-8-11-17-12-14-18(15-13-17)22(19,20)21;/h12-16H,3-11H2,1-2H3,(H,19,20,21);/q;+1/p-1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "HLZPFMSGWIVXAK-UHFFFAOYSA-M"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCCCC(CC)CCCCCc1ccc(S(=O)(=O)[O-])cc1.[Na+]"
        ]
      },
      "attested_by": {
        "HLZPFMSGWIVXAK-UHFFFAOYSA-M": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C18H29NaO3S"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCCCC(CC)CCCCCc1ccc(S(=O)(=O)[O-])cc1.[Na+]"
        ]
      },
      "attested_by": {
        "C18H29NaO3S": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        348.484
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCCCC(CC)CCCCCc1ccc(S(=O)(=O)[O-])cc1.[Na+]"
        ]
      },
      "attested_by": {
        "348.484": [
          "rdkit_post_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": [
        348.17351
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCCCC(CC)CCCCCc1ccc(S(=O)(=O)[O-])cc1.[Na+]"
        ]
      },
      "attested_by": {
        "348.17351": [
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=68608-89-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "68608-89-9"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Sodium 4-(6-ethyldecyl)benzenesulfonate",
      "@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": "2fb2f315-04ee-4d33-bf57-57648238486d",
  "identifier": "2fb2f315-04ee-4d33-bf57-57648238486d",
  "source": "EF 3.1",
  "cas_numbers": [
    "68608-89-9"
  ],
  "ec_numbers": [
    "271-808-0"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Long-term"
  },
  "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": 0.0
    },
    {
      "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": 0.0
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-lote",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-b02b20b8033a3716",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/2fb2f315-04ee-4d33-bf57-57648238486d",
        "skos:prefLabel": "sodium 4-(6-ethyldecyl)benzenesulfonate",
        "context": "Emissions/Emissions to water/Emissions to water, unspecified (long-term)",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/2fb2f315-04ee-4d33-bf57-57648238486d"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/2fb2f315-04ee-4d33-bf57-57648238486d"
      },
      "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",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match",
    "properties": "normalise_property_values",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "68608-89-9": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "sodium 4-(6-ethyldecyl)benzenesulfonate",
    "synonyms": [
      "organic",
      "benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,sodiumsalts",
      "benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,sodiumsaltsthissubstanceisidentifiedbysdasubstancename:c11-c13branchedalkylbenzenesulfonicacidsodiumsaltandsdareportingnumber:25-097-04."
    ],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to water, unspecified (long-term)"
    ],
    "cas_numbers": [
      "68608-89-9"
    ],
    "ec_numbers": [
      "271-808-0"
    ],
    "unit": "kg"
  }
}

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