← Back to consensus flows

Morpholin-4-ium 4-methylbenzenesulfonate

UUID d0403c03-4eb6-4209-818b-0ba7aaceca3f
Flow Object IDfo-d3472945212f418d
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 13732-62-2
EC Numbers 237-301-3
prefLabel
Language Value Provenance
en Morpholin-4-ium 4-methylbenzenesulfonate
altLabel
Language Value Provenance
en 4-Methylbenzenesulfonic acid morpholine salt
en <em>p</em>-Toluenesulfonic acid morpholine salt
en Morpholine tosylate
en Morpholine, 4-methylbenzenesulfonate
en Morpholine, 4-methylbenzenesulfonate (1:1)
en Morpholine, <em>p</em>-toluenesulfonate
References
Shared Properties
Predicate Value
InChIKey LYWVNPSVLAFTFX-UHFFFAOYSA-N, ZYAJNDITUUBDPX-UHFFFAOYSA-N
InChI InChI=1S/2Cs.4O.W/q2*+1;4*-2;, InChI=1S/C7H8O3S.C4H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-6-4-2-5-1/h2-5H,1H3,(H,8,9,10);5H,1-4H2
IUPAC name 4-methylbenzenesulfonate;morpholin-4-ium, 4-methylbenzenesulfonic acid;morpholine, dicesium;tetrakis(oxygen(2-));tungsten, morpholin-4-ium tosylate, morpholine;tosylic acid
Molecular formula C11H17NO4S, Cs2O4W-6
SMILES CC1=CC=C(C=C1)S(=O)(=O)O.C1COCCN1, CC1=CC=C(C=C1)S(=O)(=O)[O-].C1COCC[NH2+]1, [O-2].[O-2].[O-2].[O-2].[Cs+].[Cs+].[W]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 d0403c03-4eb6-4209-818b-0ba7aaceca3f morpholin-4-ium 4-methylbenzenesulfonate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 morpholin-4-ium 4-methylbenzenesulfonate 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 1 consensus_match group_key=morpholin-4-ium4-methylbenzenesulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=13732-62-2; added Common Chemistry CAS names as altLabel: 4-Methylbenzenesulfonic acid morpholine salt, <em>p</em>-Toluenesulfonic acid morpholine salt, Morpholine tosylate, Morpholine, 4-methylbenzenesulfonate, Morpholine, 4-methylbenzenesulfonate (1:1), Morpholine, <em>p</em>-toluenesulfonate; object_uuid=fo-d3472945212f418d
cas_match_labels 1 consensus_match group_key=morpholin-4-ium4-methylbenzenesulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'13732-62-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d3472945212f418d: {'13732-62-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '4-Methylbenzenesulfonic acid morpholine salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13732-62-2', 'https://commonchemistry.cas.org/detail?cas_rn=13732-62-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Toluenesulfonic acid morpholine salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13732-62-2', 'https://commonchemistry.cas.org/detail?cas_rn=13732-62-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Morpholine tosylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13732-62-2', 'https://commonchemistry.cas.org/detail?cas_rn=13732-62-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Morpholine, 4-methylbenzenesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13732-62-2', 'https://commonchemistry.cas.org/detail?cas_rn=13732-62-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Morpholine, 4-methylbenzenesulfonate (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13732-62-2', 'https://commonchemistry.cas.org/detail?cas_rn=13732-62-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Morpholine, <em>p</em>-toluenesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13732-62-2', 'https://commonchemistry.cas.org/detail?cas_rn=13732-62-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=morpholin-4-ium4-methylbenzenesulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=13732-62-2; added Common Chemistry CAS names as altLabel: 4-Methylbenzenesulfonic acid morpholine salt, <em>p</em>-Toluenesulfonic acid morpholine salt, Morpholine tosylate, Morpholine, 4-methylbenzenesulfonate, Morpholine, 4-methylbenzenesulfonate (1:1), Morpholine, <em>p</em>-toluenesulfonate; object_uuid=fo-d3472945212f418d
cas_match_labels None {'13732-62-2': 'exactMatch'} group_key=morpholin-4-ium4-methylbenzenesulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'13732-62-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d3472945212f418d: {'13732-62-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "d0403c03-4eb6-4209-818b-0ba7aaceca3f",
  "name": null,
  "cas_numbers": [
    "13732-62-2"
  ],
  "ec_numbers": [
    "237-301-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "indoor": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "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": 4.5723
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 9.6001e-7
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 9.6001e-7
    },
    {
      "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": 4.5723
    }
  ],
  "source": "EF 3.1",
  "identifier": "d0403c03-4eb6-4209-818b-0ba7aaceca3f",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "d0403c03-4eb6-4209-818b-0ba7aaceca3f",
      "source_flow_name": "morpholin-4-ium 4-methylbenzenesulfonate",
      "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, indoor"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Morpholin-4-ium 4-methylbenzenesulfonate",
      "@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-indr-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H17NO4S",
        "Cs2O4W-6"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:83691",
          "CID:166852",
          "CID:71432021"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "LYWVNPSVLAFTFX-UHFFFAOYSA-N",
        "ZYAJNDITUUBDPX-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:83691",
          "CID:166852",
          "CID:71432021"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1=CC=C(C=C1)S(=O)(=O)O.C1COCCN1",
        "CC1=CC=C(C=C1)S(=O)(=O)[O-].C1COCC[NH2+]1",
        "[O-2].[O-2].[O-2].[O-2].[Cs+].[Cs+].[W]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:83691",
          "CID:166852",
          "CID:71432021"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/2Cs.4O.W/q2*+1;4*-2;",
        "InChI=1S/C7H8O3S.C4H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-6-4-2-5-1/h2-5H,1H3,(H,8,9,10);5H,1-4H2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:83691",
          "CID:166852",
          "CID:71432021"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "4-methylbenzenesulfonate;morpholin-4-ium",
        "4-methylbenzenesulfonic acid;morpholine",
        "dicesium;tetrakis(oxygen(2-));tungsten",
        "morpholin-4-ium tosylate",
        "morpholine;tosylic acid"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:83691",
          "CID:166852",
          "CID:71432021"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.033.639",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166852;CAS:13732-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13732-62-2]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.033.896",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:83691;CAS:13732-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13732-62-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=13732-62-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:71432021;CAS:13732-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13732-62-2]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID501014398",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166852;CAS:13732-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13732-62-2]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9065601",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:71432021;CAS:13732-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13732-62-2]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Dictionary_of_chemical_formulas",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166852;CAS:13732-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13732-62-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/166852",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166852;CAS:13732-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[13732-62-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/71432021",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:71432021;CAS:13732-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[13732-62-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/83691",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:83691;CAS:13732-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[13732-62-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q81992288",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:83691;CAS:13732-62-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13732-62-2]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-Methylbenzenesulfonic acid morpholine salt",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13732-62-2",
          "https://commonchemistry.cas.org/detail?cas_rn=13732-62-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "<em>p</em>-Toluenesulfonic acid morpholine salt",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13732-62-2",
          "https://commonchemistry.cas.org/detail?cas_rn=13732-62-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Morpholine tosylate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13732-62-2",
          "https://commonchemistry.cas.org/detail?cas_rn=13732-62-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Morpholine, 4-methylbenzenesulfonate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13732-62-2",
          "https://commonchemistry.cas.org/detail?cas_rn=13732-62-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Morpholine, 4-methylbenzenesulfonate (1:1)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13732-62-2",
          "https://commonchemistry.cas.org/detail?cas_rn=13732-62-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Morpholine, <em>p</em>-toluenesulfonate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13732-62-2",
          "https://commonchemistry.cas.org/detail?cas_rn=13732-62-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "13732-62-2": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/d0403c03-4eb6-4209-818b-0ba7aaceca3f",
        "skos:prefLabel": "morpholin-4-ium 4-methylbenzenesulfonate",
        "context": "Emissions/Emissions to air/Emissions to air, indoor",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/d0403c03-4eb6-4209-818b-0ba7aaceca3f"
      },
      "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-d3472945212f418d"
}