Consensus flow list

4-(1,3,5,7-tetramethyloctyl)benzenesulfonic Acid

621f8f37-3a59-4306-8f96-8d016fa8ae6f

Identity

Substance
fo-5b718d21d3d5de67 Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Air → Unknown
CAS
68608-88-8
EC
271-807-5

Context

Dimension
Environmental
Media
Air
Strata
Unknown

Alternative labels

1

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 621f8f37-3a59-4306-8f96-8d016fa8ae6f 4-(1,3,5,7-tetramethyloctyl)benzenesulfonic acid 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 621f8f37-3a59-4306-8f96-8d016fa8ae6f 4-(1,3,5,7-tetramethyloctyl)benzenesulfonic acid Emissions/Emissions to air/Emissions to air, unspecified 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 — 7,380.8 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater — 7,380.8 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics — 7,380.8 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics — 7,380.8 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.",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68608-88-8",
          "https://commonchemistry.cas.org/detail?cas_rn=68608-88-8"
        ],
        "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": [
        "4-(1,3,5,7-tetramethyloctyl)benzenesulfonic Acid"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "4-(1,3,5,7-tetramethyloctyl)benzenesulfonic Acid"
        ]
      },
      "attested_by": {
        "4-(1,3,5,7-tetramethyloctyl)benzenesulfonic Acid": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
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        "CC(C)CC(C)CC(C)CC(C)c1ccc(S(=O)(=O)O)cc1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4-(1,3,5,7-tetramethyloctyl)benzenesulfonic Acid"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)CC(C)CC(C)CC(C)c1ccc(S(=O)(=O)O)cc1"
          ]
        }
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C18H30O3S/c1-13(2)10-14(3)11-15(4)12-16(5)17-6-8-18(9-7-17)22(19,20)21/h6-9,13-16H,10-12H2,1-5H3,(H,19,20,21)"
      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
            "4-(1,3,5,7-tetramethyloctyl)benzenesulfonic Acid"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)CC(C)CC(C)CC(C)c1ccc(S(=O)(=O)O)cc1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C18H30O3S/c1-13(2)10-14(3)11-15(4)12-16(5)17-6-8-18(9-7-17)22(19,20)21/h6-9,13-16H,10-12H2,1-5H3,(H,19,20,21)": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "SRIYDGQCJPZPPK-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC(C)CC(C)CC(C)CC(C)c1ccc(S(=O)(=O)O)cc1"
        ]
      },
      "attested_by": {
        "SRIYDGQCJPZPPK-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C18H30O3S"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC(C)CC(C)CC(C)CC(C)c1ccc(S(=O)(=O)O)cc1"
        ]
      },
      "attested_by": {
        "C18H30O3S": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        326.502
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC(C)CC(C)CC(C)CC(C)c1ccc(S(=O)(=O)O)cc1"
        ]
      },
      "attested_by": {
        "326.502": [
          "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": [
        326.191566
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC(C)CC(C)CC(C)CC(C)c1ccc(S(=O)(=O)O)cc1"
        ]
      },
      "attested_by": {
        "326.191566": [
          "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=68608-88-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "68608-88-8"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "4-(1,3,5,7-tetramethyloctyl)benzenesulfonic Acid",
      "@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": "621f8f37-3a59-4306-8f96-8d016fa8ae6f",
  "identifier": "621f8f37-3a59-4306-8f96-8d016fa8ae6f",
  "source": "EF 3.1",
  "cas_numbers": [
    "68608-88-8"
  ],
  "ec_numbers": [
    "271-807-5"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "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": 7380.8
    },
    {
      "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": 7380.8
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-5b718d21d3d5de67",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/621f8f37-3a59-4306-8f96-8d016fa8ae6f",
        "skos:prefLabel": "4-(1,3,5,7-tetramethyloctyl)benzenesulfonic acid",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/621f8f37-3a59-4306-8f96-8d016fa8ae6f"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/621f8f37-3a59-4306-8f96-8d016fa8ae6f"
      },
      "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": {
    "68608-88-8": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "4-(1,3,5,7-tetramethyloctyl)benzenesulfonic acid",
    "synonyms": [
      "organic",
      "benzenesulfonicacid,mono-c11-13-branchedalkylderivs.",
      "benzenesulfonicacid,mono-c11-13-branchedalkylderivs.thissubstanceisidentifiedbysdasubstancename:c11-c13branchedalkylbenzenesulfonicacidandsdareportingnumber:25-096-00.",
      "bio-softtpb100",
      "ufacidtpb"
    ],
    "context": [
      "Emissions",
      "Emissions to air",
      "Emissions to air, unspecified"
    ],
    "cas_numbers": [
      "68608-88-8"
    ],
    "ec_numbers": [
      "271-807-5"
    ],
    "unit": "kg"
  }
}

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