Sodium 4-isopropylbenzenesulfonate

← Back to consensus flows

Sodium 4-isopropylbenzenesulfonate

UUID 462580b8-dc2a-4fec-9e14-0cc09dfafa3e

Flow Object ID fo-5f71027c710e889b

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

CAS Numbers 15763-76-5

EC Numbers 239-854-6

prefLabel

Language	Value	Provenance
`en`	`Sodium 4-isopropylbenzenesulfonate`

altLabel ⓘ

Language	Value	Provenance
`en`	`<em>p</em>-Cumenesulfonic acid, sodium salt`
`en`	`Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt`
`en`	`Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt (1:1)`
`en`	`Sodium <em>p</em>-cumenesulfonate`
`en`	`Sodium <em>p</em>-isopropylbenzenesulfonate`

References

Shared Properties

Predicate	Value
InChIKey	`BJVQMPLRSFIZMB-UHFFFAOYSA-N, QEKATQBVVAZOAY-UHFFFAOYSA-M`
InChI	`InChI=1S/C9H12O3S.Na/c1-7(2)8-3-5-9(6-4-8)13(10,11)12;/h3-7H,1-2H3,(H,10,11,12);, InChI=1S/C9H12O3S.Na/c1-7(2)8-3-5-9(6-4-8)13(10,11)12;/h3-7H,1-2H3,(H,10,11,12);/q;+1/p-1`
IUPAC name	`sodium 4-isopropylbenzenesulfonate, sodium 4-isopropylbesylate, sodium 4-propan-2-ylbenzenesulfonate`
Molecular formula	`C9H11NaO3S, C9H12NaO3S`
SMILES	`CC(C)C1=CC=C(C=C1)S(=O)(=O)O.[Na], CC(C)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`462580b8-dc2a-4fec-9e14-0cc09dfafa3e`	sodium 4-isopropylbenzenesulfonate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	sodium 4-isopropylbenzenesulfonate	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`	1	`—`	consensus_match	group_key=sodium4-isopropylbenzenesulfonate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=15763-76-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Cumenesulfonic acid, sodium salt, Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt, Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt (1:1), Sodium <em>p</em>-cumenesulfonate, Sodium <em>p</em>-isopropylbenzenesulfonate; object_uuid=fo-5f71027c710e889b
`cas_match_labels`	1	`—`	consensus_match	group_key=sodium4-isopropylbenzenesulfonate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15763-76-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5f71027c710e889b: {'15763-76-5': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Rural (<1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '<em>p</em>-Cumenesulfonic acid, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15763-76-5', 'https://commonchemistry.cas.org/detail?cas_rn=15763-76-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15763-76-5', 'https://commonchemistry.cas.org/detail?cas_rn=15763-76-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15763-76-5', 'https://commonchemistry.cas.org/detail?cas_rn=15763-76-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium <em>p</em>-cumenesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15763-76-5', 'https://commonchemistry.cas.org/detail?cas_rn=15763-76-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium <em>p</em>-isopropylbenzenesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15763-76-5', 'https://commonchemistry.cas.org/detail?cas_rn=15763-76-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=sodium4-isopropylbenzenesulfonate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=15763-76-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Cumenesulfonic acid, sodium salt, Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt, Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt (1:1), Sodium <em>p</em>-cumenesulfonate, Sodium <em>p</em>-isopropylbenzenesulfonate; object_uuid=fo-5f71027c710e889b
`cas_match_labels`	`None`	`{'15763-76-5': 'exactMatch'}`	group_key=sodium4-isopropylbenzenesulfonate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15763-76-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5f71027c710e889b: {'15763-76-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "462580b8-dc2a-4fec-9e14-0cc09dfafa3e",
  "name": null,
  "cas_numbers": [
    "15763-76-5"
  ],
  "ec_numbers": [
    "239-854-6"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Rural (<1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "462580b8-dc2a-4fec-9e14-0cc09dfafa3e",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "462580b8-dc2a-4fec-9e14-0cc09dfafa3e",
      "source_flow_name": "sodium 4-isopropylbenzenesulfonate",
      "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 air",
          "Emissions to air, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Sodium 4-isopropylbenzenesulfonate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "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": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ru10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H11NaO3S",
        "C9H12NaO3S"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23679813",
          "CID:88079071"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BJVQMPLRSFIZMB-UHFFFAOYSA-N",
        "QEKATQBVVAZOAY-UHFFFAOYSA-M"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23679813",
          "CID:88079071"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)C1=CC=C(C=C1)S(=O)(=O)O.[Na]",
        "CC(C)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23679813",
          "CID:88079071"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C9H12O3S.Na/c1-7(2)8-3-5-9(6-4-8)13(10,11)12;/h3-7H,1-2H3,(H,10,11,12);",
        "InChI=1S/C9H12O3S.Na/c1-7(2)8-3-5-9(6-4-8)13(10,11)12;/h3-7H,1-2H3,(H,10,11,12);/q;+1/p-1"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23679813",
          "CID:88079071"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "sodium 4-isopropylbenzenesulfonate",
        "sodium 4-isopropylbesylate",
        "sodium 4-propan-2-ylbenzenesulfonate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23679813",
          "CID:88079071"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J27.509C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23679813;CAS:15763-76-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15763-76-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.036.216",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23679813;CAS:15763-76-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15763-76-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=15763-76-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:88079071;CAS:15763-76-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15763-76-5]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6047523",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23679813;CAS:15763-76-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15763-76-5]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AZ696V2810",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23679813;CAS:15763-76-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15763-76-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/23679813",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23679813;CAS:15763-76-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[15763-76-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/88079071",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:88079071;CAS:15763-76-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[15763-76-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27274200",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23679813;CAS:15763-76-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15763-76-5]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "<em>p</em>-Cumenesulfonic acid, sodium salt",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15763-76-5",
          "https://commonchemistry.cas.org/detail?cas_rn=15763-76-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15763-76-5",
          "https://commonchemistry.cas.org/detail?cas_rn=15763-76-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt (1:1)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15763-76-5",
          "https://commonchemistry.cas.org/detail?cas_rn=15763-76-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium <em>p</em>-cumenesulfonate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15763-76-5",
          "https://commonchemistry.cas.org/detail?cas_rn=15763-76-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium <em>p</em>-isopropylbenzenesulfonate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15763-76-5",
          "https://commonchemistry.cas.org/detail?cas_rn=15763-76-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "15763-76-5": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/462580b8-dc2a-4fec-9e14-0cc09dfafa3e",
        "skos:prefLabel": "sodium 4-isopropylbenzenesulfonate",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified (long-term)",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/462580b8-dc2a-4fec-9e14-0cc09dfafa3e"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-5f71027c710e889b"
}