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Benzenesulfonic acid, dodecyl ester

UUID f536d1a0-2fdf-4731-be74-c2d2b7e92321
Deprecated yes
Replaced By 05808f69-ef78-466e-92c4-200e8526b72b
Flow Object IDfo-5ee313f291eb284a
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 1886-81-3
EC Numbers 217-555-1
prefLabel
Language Value Provenance
en Benzenesulfonic acid, dodecyl ester
altLabel
Language Value Provenance
en Dodecyl Benzenesulphonate
References
Shared Properties
Predicate Value
InChIKey YRIUSKIDOIARQF-UHFFFAOYSA-N
InChI InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3
IUPAC name benzenesulfonic acid dodecyl ester, benzenesulfonic acid lauryl ester, dodecyl benzenesulfonate
Molecular formula C18H30O3S
SMILES CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 f536d1a0-2fdf-4731-be74-c2d2b7e92321 dodecyl benzenesulphonate

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=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; cas=1886-81-3; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, dodecyl ester; object_uuid=fo-5ee313f291eb284a
cas_match_labels 1 consensus_match group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1886-81-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ee313f291eb284a: {'1886-81-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Benzenesulfonic acid, dodecyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1886-81-3', 'https://commonchemistry.cas.org/detail?cas_rn=1886-81-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; cas=1886-81-3; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, dodecyl ester; object_uuid=fo-5ee313f291eb284a
cas_match_labels None {'1886-81-3': 'exactMatch'} group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1886-81-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ee313f291eb284a: {'1886-81-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
  "cas_numbers": [
    "1886-81-3"
  ],
  "ec_numbers": [
    "217-555-1"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "f536d1a0-2fdf-4731-be74-c2d2b7e92321",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
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      "list_version": "3.1",
      "source_flow_uuid": "f536d1a0-2fdf-4731-be74-c2d2b7e92321",
      "source_flow_name": "dodecyl benzenesulphonate",
      "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 water",
          "Emissions to water, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
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      "@value": "Benzenesulfonic acid, dodecyl ester",
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        ],
        "prov:wasDerivedFrom": "pubchem record title"
      }
    }
  ],
  "_sources": {
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    "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": "pubchem_readable_name",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C18H30O3S"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "YRIUSKIDOIARQF-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
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        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
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      ],
      "rdfs:label": "SMILES",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.props.SMILES"
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
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      ],
      "rdfs:label": "InChI",
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
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        "benzenesulfonic acid lauryl ester",
        "dodecyl benzenesulfonate"
      ],
      "rdfs:label": "IUPAC name",
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      }
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  },
  "skos:definition": [],
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    },
    {
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    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0251568",
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        "prov:wasDerivedFrom": "pubchem.by_cas[1886-81-3]"
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    }
  ],
  "altLabel": [
    {
      "@value": "Dodecyl Benzenesulphonate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
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  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:05808f69-ef78-466e-92c4-200e8526b72b",
  "is_replaced_by_uuid": "05808f69-ef78-466e-92c4-200e8526b72b",
  "flow_object_id": "fo-5ee313f291eb284a"
}