4-dodecylbenzenesulfonic acid

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4-dodecylbenzenesulfonic acid

UUID 9ed8caee-be04-454e-9162-fc017c99f23b

Flow Object ID fo-51a5eaea013a5355

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 85536-14-7

EC Numbers 287-494-3

prefLabel ⓘ

Language	Value	Provenance
`en`	`4-dodecylbenzenesulfonic acid`

altLabel ⓘ

Language	Value	Provenance
`en`	`Benzenesulfonic acid, 4-C<sub>10-13</sub>-<em>sec</em>-alkyl derivs.`

References

Shared Properties

Predicate	Value
InChIKey	`KWXICGTUELOLSQ-UHFFFAOYSA-N, WBIQQQGBSDOWNP-UHFFFAOYSA-N`
InChI	`InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21), InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)`
IUPAC name	`2-dodecylbenzenesulfonic acid, 2-laurylbesylic acid, 4-dodecylbenzenesulfonic acid, 4-laurylbesylic acid`
Molecular formula	`C18H30O3S`
SMILES	`CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O, CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`9ed8caee-be04-454e-9162-fc017c99f23b`	benzenesulfonic acid, 4-c10-13-sec-alkyl derivs.

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	benzenesulfonic acid, 4-c10-13-sec-alkyl derivs.	Emissions/Emissions to air/Emissions to air, indoor	kg	`exactMatch`	—

Consolidated Field Provenance

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

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	2	`—`	consensus_match	group_key=benzenesulfonicacid,4-c10-13-sec-alkylderivs.\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=85536-14-7; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 4-C<sub>10-13</sub>-<em>sec</em>-alkyl derivs.; object_uuid=fo-51a5eaea013a5355
`cas_match_labels`	1	`—`	consensus_match	group_key=benzenesulfonicacid,4-c10-13-sec-alkylderivs.\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'85536-14-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-51a5eaea013a5355: {'85536-14-7': 'exactMatch'}
`prefLabel`	1	`—`	consensus_match	group_key=benzenesulfonicacid,4-c10-13-sec-alkylderivs.\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=85536-14-7; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.1411; pubchem_entropy=3.7080; current_score=4.5311; pubchem_score=3.9780; score_improvement=0.5530; threshold=0.400; min_margin=0.400; object_uuid=fo-51a5eaea013a5355

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
indoor	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`prefLabel`	`[{'@value': 'Benzenesulfonic Acid, 4-c10-13-sec-alkyl Derivs.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}]`	`[{'@value': '4-dodecylbenzenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:85536-14-7', 'name:4-dodecylbenzenesulfonic acid', 'https://pubchem.ncbi.nlm.nih.gov/compound/8485'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}]`	group_key=benzenesulfonicacid,4-c10-13-sec-alkylderivs.\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=85536-14-7; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.1411; pubchem_entropy=3.7080; current_score=4.5311; pubchem_score=3.9780; score_improvement=0.5530; threshold=0.400; min_margin=0.400; object_uuid=fo-51a5eaea013a5355
`altLabel`	`None`	`[{'@value': 'Benzenesulfonic Acid, 4-c10-13-sec-alkyl Derivs.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}]`	group_key=benzenesulfonicacid,4-c10-13-sec-alkylderivs.\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=85536-14-7; added current EF name as altLabel when prefLabel differs; object_uuid=fo-51a5eaea013a5355
`altLabel`	`[{'@value': 'Benzenesulfonic Acid, 4-c10-13-sec-alkyl Derivs.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}]`	`[{'@value': 'Benzenesulfonic acid, 4-C<sub>10-13</sub>-<em>sec</em>-alkyl derivs.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:85536-14-7', 'https://commonchemistry.cas.org/detail?cas_rn=85536-14-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]`	group_key=benzenesulfonicacid,4-c10-13-sec-alkylderivs.\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=85536-14-7; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 4-C<sub>10-13</sub>-<em>sec</em>-alkyl derivs.; object_uuid=fo-51a5eaea013a5355
`cas_match_labels`	`None`	`{'85536-14-7': 'exactMatch'}`	group_key=benzenesulfonicacid,4-c10-13-sec-alkylderivs.\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'85536-14-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-51a5eaea013a5355: {'85536-14-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
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  "ec_numbers": [
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    "dimension": "Environmental",
    "media": "Air",
    "indoor": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "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": 599.03
    },
    {
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      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 599.03
    }
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  "source": "EF 3.1",
  "identifier": "9ed8caee-be04-454e-9162-fc017c99f23b",
  "input_datasets": [
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      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
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    "context": "default_context_mapping",
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  "altLabel": [
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      "@language": "en",
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