← Back to consensus flows

Phosphorodithioic Acid, Mixed O,o-bis(iso-bu And Pentyl) Esters, Zinc Salts

UUID 730e69a9-1074-46aa-a4f0-a28cff55edf8
Flow Object IDfo-3f264deae13f9a33
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 68457-79-4
EC Numbers 270-608-0
prefLabel
Language Value Provenance
en Phosphorodithioic Acid, Mixed O,o-bis(iso-bu And Pentyl) Esters, Zinc Salts
altLabel
Language Value Provenance
en Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts
References
Shared Properties
Predicate Value
InChIKey CFGBPGNQMWYJPH-UHFFFAOYSA-L
InChI InChI=1S/2C8H19O2PS2.Zn/c2*1-7(2)5-9-11(12,13)10-6-8(3)4;/h2*7-8H,5-6H2,1-4H3,(H,12,13);/q;;+2/p-2
IUPAC name zinc bis(bis(2-methylpropoxy)-sulfanidyl-sulfanylidene-lambda5-phosphane), zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-lambda5-phosphane), zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfidophosphorane), zinc bis(diisobutoxy-sulfido-thioxo-lambda5-phosphane), zinc bis(diisobutoxy-sulfido-thioxo-phosphorane)
Molecular formula C16H36O4P2S4Zn
SMILES CC(C)COP(=S)(OCC(C)C)[S-].CC(C)COP(=S)(OCC(C)C)[S-].[Zn+2]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 730e69a9-1074-46aa-a4f0-a28cff55edf8 phosphorodithioic acid, mixed o,o-bis(iso-bu and pentyl) esters, zinc salts

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 phosphorodithioic acid, mixed o,o-bis(iso-bu and pentyl) esters, zinc salts Emissions/Emissions to water/Emissions to water, unspecified 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=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68457-79-4; added Common Chemistry CAS names as altLabel: Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts; object_uuid=fo-3f264deae13f9a33
cas_match_labels 1 consensus_match group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68457-79-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3f264deae13f9a33: {'68457-79-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68457-79-4', 'https://commonchemistry.cas.org/detail?cas_rn=68457-79-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68457-79-4; added Common Chemistry CAS names as altLabel: Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts; object_uuid=fo-3f264deae13f9a33
cas_match_labels None {'68457-79-4': 'exactMatch'} group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68457-79-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3f264deae13f9a33: {'68457-79-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "730e69a9-1074-46aa-a4f0-a28cff55edf8",
  "name": null,
  "cas_numbers": [
    "68457-79-4"
  ],
  "ec_numbers": [
    "270-608-0"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "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": 7046.8
    },
    {
      "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": 2.7673e-8
    },
    {
      "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": 2.7673e-8
    },
    {
      "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": 7046.8
    }
  ],
  "source": "EF 3.1",
  "identifier": "730e69a9-1074-46aa-a4f0-a28cff55edf8",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "730e69a9-1074-46aa-a4f0-a28cff55edf8",
      "source_flow_name": "phosphorodithioic acid, mixed o,o-bis(iso-bu and pentyl) esters, zinc salts",
      "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 water",
          "Emissions to water, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Phosphorodithioic Acid, Mixed O,o-bis(iso-bu And Pentyl) Esters, Zinc Salts",
      "@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-wate-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": [
        "C16H36O4P2S4Zn"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21282375"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "CFGBPGNQMWYJPH-UHFFFAOYSA-L"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21282375"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)COP(=S)(OCC(C)C)[S-].CC(C)COP(=S)(OCC(C)C)[S-].[Zn+2]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21282375"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/2C8H19O2PS2.Zn/c2*1-7(2)5-9-11(12,13)10-6-8(3)4;/h2*7-8H,5-6H2,1-4H3,(H,12,13);/q;;+2/p-2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21282375"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "zinc bis(bis(2-methylpropoxy)-sulfanidyl-sulfanylidene-lambda5-phosphane)",
        "zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-lambda5-phosphane)",
        "zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfidophosphorane)",
        "zinc bis(diisobutoxy-sulfido-thioxo-lambda5-phosphane)",
        "zinc bis(diisobutoxy-sulfido-thioxo-phosphorane)"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21282375"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J297.821K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21282375;CAS:68457-79-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68457-79-4]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.022.672",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21282375;CAS:68457-79-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68457-79-4]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.064.169",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21282375;CAS:68457-79-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68457-79-4]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=4563-55-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21282375;CAS:68457-79-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68457-79-4]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=68457-79-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21282375;CAS:68457-79-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68457-79-4]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4SSF9XD09V",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21282375;CAS:68457-79-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68457-79-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/21282375",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21282375;CAS:68457-79-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[68457-79-4]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126604841",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21282375;CAS:68457-79-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68457-79-4]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68457-79-4",
          "https://commonchemistry.cas.org/detail?cas_rn=68457-79-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "68457-79-4": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/730e69a9-1074-46aa-a4f0-a28cff55edf8",
        "skos:prefLabel": "phosphorodithioic acid, mixed o,o-bis(iso-bu and pentyl) esters, zinc salts",
        "context": "Emissions/Emissions to water/Emissions to water, unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/730e69a9-1074-46aa-a4f0-a28cff55edf8"
      },
      "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-3f264deae13f9a33"
}