← Back to consensus flows

Sodium 4-(6-ethyldecyl)benzenesulfonate

UUID 8ae342bb-fd50-403d-989a-c7795f057d42
Deprecated yes
Replaced By 649c9b5a-25f2-4303-b501-98ad92d56aa9
Flow Object IDfo-b02b20b8033a3716
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 68608-89-9
EC Numbers 271-808-0
prefLabel
Language Value Provenance
en Sodium 4-(6-ethyldecyl)benzenesulfonate
altLabel
Language Value Provenance
en Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., sodium salts
References
Shared Properties
Predicate Value
InChIKey HLZPFMSGWIVXAK-UHFFFAOYSA-M
InChI 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
IUPAC name sodium 4-(6-ethyldecyl)benzenesulfonate, sodium 4-(6-ethyldecyl)besylate
Molecular formula C18H29NaO3S
SMILES CCCCC(CC)CCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 8ae342bb-fd50-403d-989a-c7795f057d42 sodium 4-(6-ethyldecyl)benzenesulfonate

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=sodium4-(6-ethyldecyl)benzenesulfonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68608-89-9; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., sodium salts; object_uuid=fo-b02b20b8033a3716
cas_match_labels 1 consensus_match group_key=sodium4-(6-ethyldecyl)benzenesulfonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'68608-89-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b02b20b8033a3716: {'68608-89-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@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'}}] group_key=sodium4-(6-ethyldecyl)benzenesulfonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68608-89-9; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., sodium salts; object_uuid=fo-b02b20b8033a3716
cas_match_labels None {'68608-89-9': 'exactMatch'} group_key=sodium4-(6-ethyldecyl)benzenesulfonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'68608-89-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b02b20b8033a3716: {'68608-89-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "8ae342bb-fd50-403d-989a-c7795f057d42",
  "name": null,
  "cas_numbers": [
    "68608-89-9"
  ],
  "ec_numbers": [
    "271-808-0"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "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": 29708.0
    },
    {
      "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": 29708.0
    }
  ],
  "source": "EF 3.1",
  "identifier": "8ae342bb-fd50-403d-989a-c7795f057d42",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "8ae342bb-fd50-403d-989a-c7795f057d42",
      "source_flow_name": "sodium 4-(6-ethyldecyl)benzenesulfonate",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to soil",
          "Emissions to non-agricultural soil"
        ]
      }
    }
  ],
  "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"
      }
    }
  ],
  "_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": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C18H29NaO3S"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23687331"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "HLZPFMSGWIVXAK-UHFFFAOYSA-M"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23687331"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCC(CC)CCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23687331"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@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"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23687331"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "sodium 4-(6-ethyldecyl)benzenesulfonate",
        "sodium 4-(6-ethyldecyl)besylate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23687331"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "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"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/23687331",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23687331;CAS:68608-89-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[68608-89-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126613023",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23687331;CAS:68608-89-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68608-89-9]"
      }
    }
  ],
  "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"
      }
    }
  ],
  "cas_match_labels": {
    "68608-89-9": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:649c9b5a-25f2-4303-b501-98ad92d56aa9",
  "is_replaced_by_uuid": "649c9b5a-25f2-4303-b501-98ad92d56aa9",
  "flow_object_id": "fo-b02b20b8033a3716"
}