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4-dodecylbenzenesulfonic acid

UUID 3afafd81-f8fe-4af2-9a10-66732bf7f3d9
Flow Object IDfo-51a5eaea013a5355
Source EF 3.1
Context Environmental → Air → Ground level → Rural (<1000 people/square mile)
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 3afafd81-f8fe-4af2-9a10-66732bf7f3d9 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, unspecified (long-term) 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

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityRural (<1000 people/square mile)

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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  "lcia_methods": [],
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