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disodium;hexadecyl sulfate;octadecyl sulfate

UUID 6f731aaf-ab50-441d-8e58-8c899d42e2d8
Flow Object IDfo-0b633328ce5c070f
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 68955-20-4
EC Numbers 273-258-7
prefLabel
Language Value Provenance
en disodium;hexadecyl sulfate;octadecyl sulfate
altLabel
Language Value Provenance
en Sulfuric acid, mono-C<sub>16-18</sub>-alkyl esters, sodium salts
References
Shared Properties
Predicate Value
InChIKey HHURSJAUVYNJBT-UHFFFAOYSA-M, ZCIKSVBTGWDVAI-UHFFFAOYSA-L
InChI InChI=1S/C17H36O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-22(18,19)20;/h2-17H2,1H3,(H,18,19,20);/q;+1/p-1, InChI=1S/C18H38O4S.C16H34O4S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;;/h2-18H2,1H3,(H,19,20,21);2-16H2,1H3,(H,17,18,19);;/q;;2*+1/p-2
IUPAC name disodium;cetyl sulfate;stearyl sulfate, disodium;hexadecyl sulfate;octadecyl sulfate, sodium heptadecyl sulfate
Molecular formula C17H35NaO4S, C34H70Na2O8S2
SMILES CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+].[Na+], CCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 6f731aaf-ab50-441d-8e58-8c899d42e2d8 sulfuric acid, mono-c16-18 (even-numbered)-alkyl esters, sodium salts

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 sulfuric acid, mono-c16-18 (even-numbered)-alkyl esters, sodium salts 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=sulfuricacid,mono-c16-18(even-numbered)-alkylesters,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=68955-20-4; added Common Chemistry CAS names as altLabel: Sulfuric acid, mono-C<sub>16-18</sub>-alkyl esters, sodium salts; object_uuid=fo-0b633328ce5c070f
cas_match_labels 1 consensus_match group_key=sulfuricacid,mono-c16-18(even-numbered)-alkylesters,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'68955-20-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-0b633328ce5c070f: {'68955-20-4': 'exactMatch'}
prefLabel 1 consensus_match group_key=sulfuricacid,mono-c16-18(even-numbered)-alkylesters,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=68955-20-4; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.1621; pubchem_entropy=3.7562; current_score=4.7121; pubchem_score=4.1562; score_improvement=0.5559; threshold=0.400; min_margin=0.400; object_uuid=fo-0b633328ce5c070f

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Sulfuric Acid, Mono-c16-18 (even-numbered)-alkyl Esters, Sodium Salts', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'disodium;hexadecyl sulfate;octadecyl sulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68955-20-4', 'name:disodium;hexadecyl sulfate;octadecyl sulfate', 'https://pubchem.ncbi.nlm.nih.gov/compound/23621259'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}] group_key=sulfuricacid,mono-c16-18(even-numbered)-alkylesters,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=68955-20-4; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.1621; pubchem_entropy=3.7562; current_score=4.7121; pubchem_score=4.1562; score_improvement=0.5559; threshold=0.400; min_margin=0.400; object_uuid=fo-0b633328ce5c070f
altLabel None [{'@value': 'Sulfuric Acid, Mono-c16-18 (even-numbered)-alkyl Esters, Sodium Salts', '@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=sulfuricacid,mono-c16-18(even-numbered)-alkylesters,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=68955-20-4; added current EF name as altLabel when prefLabel differs; object_uuid=fo-0b633328ce5c070f
altLabel [{'@value': 'Sulfuric Acid, Mono-c16-18 (even-numbered)-alkyl Esters, Sodium Salts', '@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': 'Sulfuric acid, mono-C<sub>16-18</sub>-alkyl esters, sodium salts', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68955-20-4', 'https://commonchemistry.cas.org/detail?cas_rn=68955-20-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=sulfuricacid,mono-c16-18(even-numbered)-alkylesters,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=68955-20-4; added Common Chemistry CAS names as altLabel: Sulfuric acid, mono-C<sub>16-18</sub>-alkyl esters, sodium salts; object_uuid=fo-0b633328ce5c070f
cas_match_labels None {'68955-20-4': 'exactMatch'} group_key=sulfuricacid,mono-c16-18(even-numbered)-alkylesters,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'68955-20-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-0b633328ce5c070f: {'68955-20-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 0.000011597
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