← Back to consensus flows

Phosphorothioic acid, O,O-bis(2-methylpropyl) ester, sodium salt (1:1)

UUID 989bcd83-4156-4818-91cb-fa22c54e482e
Flow Object IDfo-1eed36d0b223135c
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 53378-52-2
EC Numbers 610-992-2
prefLabel
Language Value Provenance
en Phosphorothioic acid, O,O-bis(2-methylpropyl) ester, sodium salt (1:1)
altLabel
Language Value Provenance
en Isobutyl sodium phosphorothioate
en Phosphorothioic acid, <em>O</em>,<em>O</em>-bis(2-methylpropyl) ester, sodium salt
en Phosphorothioic acid, <em>O</em>,<em>O</em>-bis(2-methylpropyl) ester, sodium salt (1:1)
en Phosphorothioic Acid, O,o-bis(2-methylpropyl) Ester, Sodium 1:1)
References
Shared Properties
Predicate Value
InChIKey VVTVDXPOGQYVFX-UHFFFAOYSA-M
InChI InChI=1S/C8H19O3PS.Na/c1-7(2)5-10-12(9,13)11-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,9,13);/q;+1/p-1
IUPAC name sodium bis(2-methylpropoxy)-oxidanidyl-sulfanylidene-lambda5-phosphane, sodium bis(2-methylpropoxy)-oxido-sulfanylidene-lambda5-phosphane, sodium bis(2-methylpropoxy)-oxido-sulfanylidenephosphorane, sodium diisobutoxy-oxido-thioxo-lambda5-phosphane, sodium diisobutoxy-oxido-thioxo-phosphorane
Molecular formula C8H18NaO3PS
SMILES CC(C)COP(=S)([O-])OCC(C)C.[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 989bcd83-4156-4818-91cb-fa22c54e482e phosphorothioic acid, o,o-bis(2-methylpropyl) ester, sodium 1:1)

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 phosphorothioic acid, o,o-bis(2-methylpropyl) ester, sodium 1:1) Emissions/Emissions to soil/Emissions to non-agricultural soil 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=phosphorothioicacid,o,o-bis(2-methylpropyl)ester,sodium1:1)||dimension=Environmental > media=Water > water_body=Surface water; cas=53378-52-2; added Common Chemistry CAS names as altLabel: Isobutyl sodium phosphorothioate, Phosphorothioic acid, <em>O</em>,<em>O</em>-bis(2-methylpropyl) ester, sodium salt, Phosphorothioic acid, <em>O</em>,<em>O</em>-bis(2-methylpropyl) ester, sodium salt (1:1); object_uuid=fo-1eed36d0b223135c
cas_match_labels 1 consensus_match group_key=phosphorothioicacid,o,o-bis(2-methylpropyl)ester,sodium1:1)||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'53378-52-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1eed36d0b223135c: {'53378-52-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Isobutyl sodium phosphorothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:53378-52-2', 'https://commonchemistry.cas.org/detail?cas_rn=53378-52-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphorothioic acid, <em>O</em>,<em>O</em>-bis(2-methylpropyl) ester, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:53378-52-2', 'https://commonchemistry.cas.org/detail?cas_rn=53378-52-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphorothioic acid, <em>O</em>,<em>O</em>-bis(2-methylpropyl) ester, sodium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:53378-52-2', 'https://commonchemistry.cas.org/detail?cas_rn=53378-52-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=phosphorothioicacid,o,o-bis(2-methylpropyl)ester,sodium1:1)||dimension=Environmental > media=Water > water_body=Surface water; cas=53378-52-2; added Common Chemistry CAS names as altLabel: Isobutyl sodium phosphorothioate, Phosphorothioic acid, <em>O</em>,<em>O</em>-bis(2-methylpropyl) ester, sodium salt, Phosphorothioic acid, <em>O</em>,<em>O</em>-bis(2-methylpropyl) ester, sodium salt (1:1); object_uuid=fo-1eed36d0b223135c
cas_match_labels None {'53378-52-2': 'exactMatch'} group_key=phosphorothioicacid,o,o-bis(2-methylpropyl)ester,sodium1:1)||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'53378-52-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1eed36d0b223135c: {'53378-52-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "989bcd83-4156-4818-91cb-fa22c54e482e",
  "name": null,
  "cas_numbers": [
    "53378-52-2"
  ],
  "ec_numbers": [
    "610-992-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "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": 899.7
    },
    {
      "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": 3.7933e-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": 3.7933e-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": 899.7
    }
  ],
  "source": "EF 3.1",
  "identifier": "989bcd83-4156-4818-91cb-fa22c54e482e",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "989bcd83-4156-4818-91cb-fa22c54e482e",
      "source_flow_name": "phosphorothioic acid, o,o-bis(2-methylpropyl) ester, sodium 1:1)",
      "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 soil",
          "Emissions to non-agricultural soil"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Phosphorothioic acid, O,O-bis(2-methylpropyl) ester, sodium salt (1:1)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53378-52-2",
          "CID:23681713"
        ],
        "prov:wasDerivedFrom": "pubchem record title"
      }
    }
  ],
  "_sources": {
    "prefLabel": "pubchem_readable_name",
    "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": "pubchem_readable_name",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-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": [
        "C8H18NaO3PS"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23681713"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "VVTVDXPOGQYVFX-UHFFFAOYSA-M"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23681713"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)COP(=S)([O-])OCC(C)C.[Na+]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23681713"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C8H19O3PS.Na/c1-7(2)5-10-12(9,13)11-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,9,13);/q;+1/p-1"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23681713"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "sodium bis(2-methylpropoxy)-oxidanidyl-sulfanylidene-lambda5-phosphane",
        "sodium bis(2-methylpropoxy)-oxido-sulfanylidene-lambda5-phosphane",
        "sodium bis(2-methylpropoxy)-oxido-sulfanylidenephosphorane",
        "sodium diisobutoxy-oxido-thioxo-lambda5-phosphane",
        "sodium diisobutoxy-oxido-thioxo-phosphorane"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23681713"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.108.445",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23681713;CAS:53378-52-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[53378-52-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=53378-52-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "53378-52-2"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID7068847",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23681713;CAS:53378-52-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[53378-52-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/23681713",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23681713;CAS:53378-52-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[53378-52-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q81995613",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23681713;CAS:53378-52-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[53378-52-2]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Isobutyl sodium phosphorothioate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53378-52-2",
          "https://commonchemistry.cas.org/detail?cas_rn=53378-52-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorothioic acid, <em>O</em>,<em>O</em>-bis(2-methylpropyl) ester, sodium salt",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53378-52-2",
          "https://commonchemistry.cas.org/detail?cas_rn=53378-52-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorothioic acid, <em>O</em>,<em>O</em>-bis(2-methylpropyl) ester, sodium salt (1:1)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53378-52-2",
          "https://commonchemistry.cas.org/detail?cas_rn=53378-52-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorothioic Acid, O,o-bis(2-methylpropyl) Ester, Sodium 1:1)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "989bcd83-4156-4818-91cb-fa22c54e482e"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "53378-52-2": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/989bcd83-4156-4818-91cb-fa22c54e482e",
        "skos:prefLabel": "phosphorothioic acid, o,o-bis(2-methylpropyl) ester, sodium 1:1)",
        "context": "Emissions/Emissions to soil/Emissions to non-agricultural soil",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/989bcd83-4156-4818-91cb-fa22c54e482e"
      },
      "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-1eed36d0b223135c"
}