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octane-1-sulfonic acid

UUID bcf41b9b-d926-46a7-aff8-95a8721b7d9d
Flow Object IDfo-e43f7b5c2ce3a2a3
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 5324-84-5
EC Numbers 226-195-4
prefLabel ⓘ
Language Value Provenance
en octane-1-sulfonic acid
altLabel ⓘ
Language Value Provenance
en 1-Octanesulfonic acid, sodium salt
en 1-Octanesulfonic acid, sodium salt (1:1)
en Bio-Terge PAS 8
en Bio-Terge PAS 8SF
en NAS 8RF
en NAS-FAL
en Sodium 1-octanesulfonate
en Sodium <em>n</em>-octanesulfonate
en Sodium <em>n</em>-octylsulfonate
en Sodium caprylyl sulfonate
en Sodium n-octanesulfonate
en Sodium octanesulfonate
en Sodium octylsulfonate
en Witconate NAS-FAL
References
Shared Properties
Predicate Value
InChIKey HRQDCDQDOPSGBR-UHFFFAOYSA-M, HRQDCDQDOPSGBR-UHFFFAOYSA-N, MBURIAHQXJQKRE-UHFFFAOYSA-M, QXFHPLPMTXEJPV-UHFFFAOYSA-N, WLGDAKIJYPIYLR-UHFFFAOYSA-N
InChI InChI=1S/C8H18O3S.Na.H2O/c1-2-3-4-5-6-7-8-12(9,10)11;;/h2-8H2,1H3,(H,9,10,11);;1H2/q;+1;/p-1, InChI=1S/C8H18O3S.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);, InChI=1S/C8H18O3S.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1, InChI=1S/C8H18O3S.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1, InChI=1S/C8H18O3S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H,9,10,11)
IUPAC name 1-octanesulfonic acid, octane-1-sulfonic acid, sodium 1-octanesulfonate, sodium 1-octanesulfonic acid, sodium octane-1-sulfonate, sodium octane-1-sulfonic acid, sodium;1-octanesulfonate;hydrate, sodium;octane-1-sulfonate;hydrate
Molecular formula C8H17NaO3S, C8H18NaO3S, C8H18NaO3S+, C8H18O3S, C8H19NaO4S
SMILES CCCCCCCCS(=O)(=O)O, CCCCCCCCS(=O)(=O)O.[Na+], CCCCCCCCS(=O)(=O)O.[Na], CCCCCCCCS(=O)(=O)[O-].O.[Na+], CCCCCCCCS(=O)(=O)[O-].[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 bcf41b9b-d926-46a7-aff8-95a8721b7d9d sodium octane-1-sulphonate monohydrate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 sodium octane-1-sulphonate monohydrate Emissions/Emissions to air/Emissions to urban air close to ground 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=sodiumoctane-1-sulphonatemonohydrate||dimension=Environmental > media=Water > water_body=Surface water; cas=5324-84-5; added Common Chemistry CAS names as altLabel: 1-Octanesulfonic acid, sodium salt, 1-Octanesulfonic acid, sodium salt (1:1), Bio-Terge PAS 8, Bio-Terge PAS 8SF, NAS 8RF, NAS-FAL, Sodium 1-octanesulfonate, Sodium <em>n</em>-octanesulfonate, Sodium <em>n</em>-octylsulfonate, Sodium caprylyl sulfonate, Sodium n-octanesulfonate, Sodium octanesulfonate, Sodium octylsulfonate, Witconate NAS-FAL; object_uuid=fo-e43f7b5c2ce3a2a3
cas_match_labels 1 — consensus_match group_key=sodiumoctane-1-sulphonatemonohydrate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5324-84-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e43f7b5c2ce3a2a3: {'5324-84-5': 'exactMatch'}
prefLabel 1 — consensus_match group_key=sodiumoctane-1-sulphonatemonohydrate||dimension=Environmental > media=Water > water_body=Surface water; cas=5324-84-5; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.8925; pubchem_entropy=3.5766; current_score=4.2325; pubchem_score=3.7666; score_improvement=0.4659; threshold=0.400; min_margin=0.400; object_uuid=fo-e43f7b5c2ce3a2a3

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUrban (>1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Sodium Octane-1-sulphonate Monohydrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'octane-1-sulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5324-84-5', 'name:octane-1-sulfonic acid', 'https://pubchem.ncbi.nlm.nih.gov/compound/49939'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}] group_key=sodiumoctane-1-sulphonatemonohydrate||dimension=Environmental > media=Water > water_body=Surface water; cas=5324-84-5; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.8925; pubchem_entropy=3.5766; current_score=4.2325; pubchem_score=3.7666; score_improvement=0.4659; threshold=0.400; min_margin=0.400; object_uuid=fo-e43f7b5c2ce3a2a3
altLabel None [{'@value': 'Sodium Octane-1-sulphonate Monohydrate', '@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=sodiumoctane-1-sulphonatemonohydrate||dimension=Environmental > media=Water > water_body=Surface water; cas=5324-84-5; added current EF name as altLabel when prefLabel differs; object_uuid=fo-e43f7b5c2ce3a2a3
altLabel [{'@value': 'Sodium Octane-1-sulphonate Monohydrate', '@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': '1-Octanesulfonic acid, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5324-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=5324-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Octanesulfonic acid, sodium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5324-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=5324-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bio-Terge PAS 8', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5324-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=5324-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bio-Terge PAS 8SF', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5324-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=5324-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NAS 8RF', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5324-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=5324-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NAS-FAL', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5324-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=5324-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium 1-octanesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5324-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=5324-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium <em>n</em>-octanesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5324-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=5324-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium <em>n</em>-octylsulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5324-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=5324-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium caprylyl sulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5324-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=5324-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium n-octanesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5324-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=5324-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium octanesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5324-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=5324-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium octylsulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5324-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=5324-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Witconate NAS-FAL', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5324-84-5', 'https://commonchemistry.cas.org/detail?cas_rn=5324-84-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=sodiumoctane-1-sulphonatemonohydrate||dimension=Environmental > media=Water > water_body=Surface water; cas=5324-84-5; added Common Chemistry CAS names as altLabel: 1-Octanesulfonic acid, sodium salt, 1-Octanesulfonic acid, sodium salt (1:1), Bio-Terge PAS 8, Bio-Terge PAS 8SF, NAS 8RF, NAS-FAL, Sodium 1-octanesulfonate, Sodium <em>n</em>-octanesulfonate, Sodium <em>n</em>-octylsulfonate, Sodium caprylyl sulfonate, Sodium n-octanesulfonate, Sodium octanesulfonate, Sodium octylsulfonate, Witconate NAS-FAL; object_uuid=fo-e43f7b5c2ce3a2a3
cas_match_labels None {'5324-84-5': 'exactMatch'} group_key=sodiumoctane-1-sulphonatemonohydrate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5324-84-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e43f7b5c2ce3a2a3: {'5324-84-5': '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": [
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  "ec_numbers": [
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  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Urban (>1000 people/square mile)"
  },
  "general_comment": "Correct mapping CAS and flow to be verified: yet unclear whether this is the sodium-, hydrochloride-, calcium-, potassium- or other salt or the pure substance that is emitted. Note that the CAS No is the relevant identifier, to which also the ILCD LCIA characterisation factors relate. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
  "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": 2.5958
    },
    {
      "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": 2.5958
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  "source": "EF 3.1",
  "identifier": "bcf41b9b-d926-46a7-aff8-95a8721b7d9d",
  "input_datasets": [
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      "source_flow_name": "sodium octane-1-sulphonate monohydrate",
      "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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          "Emissions to air",
          "Emissions to urban air close to ground"
        ]
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  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
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