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Isoxathion

2D structure
UUID 4ace6abd-b424-4bbd-8510-b30d0d7ed235
Flow Object IDfo-3d7967c7df233ed1
Source EF 3.1
Context Environmental → Air → Aircraft cruise height
CAS Numbers 18854-01-8
EC Numbers 242-624-8
prefLabel ⓘ
Language Value Provenance
en Isoxathion
altLabel ⓘ
Language Value Provenance
en Karphos
en O,O-Diethyl O-(3-(5-phenyl)-1,2-isoxazolyl)phosphorothionate
en O,O-Diethyl O-(5-phenyl-3-isoxazolyl) phosphorothioate
en O,O-diethyl O-(5-phenyl-1,2-oxazol-3-yl) phosphorothionate
en O,O-diethyl O-(5-phenylisoxazol-3-yl) thiophosphate
en 3-Isoxazolol, 5-phenyl-, <em>O</em>-ester with <em>O</em>,<em>O</em>-diethyl phosphorothioate
en Phosphorothioic acid, <em>O</em>,<em>O</em>-diethyl <em>O</em>-(5-phenyl-3-isoxazolyl) ester
Definitions
Language Value Provenance
en An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group is replaced by a 5-phenyl-1,2-oxazol-3-yl group.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey SDMSCIWHRZJSRN-UHFFFAOYSA-N
InChI InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
IUPAC name diethoxy-(5-phenylisoxazol-3-yl)oxy-thioxo-lambda5-phosphane, diethoxy-(5-phenylisoxazol-3-yl)oxy-thioxo-phosphorane, diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane, diethoxy-[(5-phenyl-3-isoxazolyl)oxy]-sulfanylidenephosphorane
Molecular formula C13H16NO4PS
Molecular mass 313.315
Monoisotopic mass 313.053766, 313.05377
SMILES CCOP(=S)(OCC)OC1=NOC(=C1)C2=CC=CC=C2, CCOP(=S)(OCC)Oc1cc(-c2ccccc2)on1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 4ace6abd-b424-4bbd-8510-b30d0d7ed235 o,o-diethyl o-5-phenylisoxazol-3-ylphosphorothioate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 o,o-diethyl o-5-phenylisoxazol-3-ylphosphorothioate Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere 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=o,o-diethylo-5-phenylisoxazol-3-ylphosphorothioate||dimension=Environmental > media=Water > water_body=Surface water; cas=18854-01-8; added Common Chemistry CAS names as altLabel: 3-Isoxazolol, 5-phenyl-, <em>O</em>-ester with <em>O</em>,<em>O</em>-diethyl phosphorothioate, Phosphorothioic acid, <em>O</em>,<em>O</em>-diethyl <em>O</em>-(5-phenyl-3-isoxazolyl) ester; object_uuid=fo-3d7967c7df233ed1
cas_match_labels 1 — consensus_match group_key=o,o-diethylo-5-phenylisoxazol-3-ylphosphorothioate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'18854-01-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3d7967c7df233ed1: {'18854-01-8': 'exactMatch'}
prefLabel 1 — consensus_match cas=18854-01-8; cc_chebi_agreed_name='Isoxathion'; object_uuid=fo-3d7967c7df233ed1

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataAircraft cruise height

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'O,o-diethyl O-5-phenylisoxazol-3-ylphosphorothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Isoxathion', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:18854-01-8'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=18854-01-8; cc_chebi_agreed_name='Isoxathion'; object_uuid=fo-3d7967c7df233ed1
altLabel [{'@value': 'Isoxathion', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isoxathion', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Karphos', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Karphos', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O,O-Diethyl O-(3-(5-phenyl)-1,2-isoxazolyl)phosphorothionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O,O-Diethyl O-(3-(5-phenyl)-1,2-isoxazolyl)phosphorothionate', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O,O-Diethyl O-(5-phenyl-3-isoxazolyl) phosphorothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O,O-Diethyl O-(5-phenyl-3-isoxazolyl) phosphorothioate', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O,O-diethyl O-(5-phenyl-1,2-oxazol-3-yl) phosphorothionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O,O-diethyl O-(5-phenyl-1,2-oxazol-3-yl) phosphorothionate', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O,O-diethyl O-(5-phenylisoxazol-3-yl) thiophosphate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O,O-diethyl O-(5-phenylisoxazol-3-yl) thiophosphate', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'Karphos', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Karphos', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O,O-Diethyl O-(3-(5-phenyl)-1,2-isoxazolyl)phosphorothionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O,O-Diethyl O-(3-(5-phenyl)-1,2-isoxazolyl)phosphorothionate', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O,O-Diethyl O-(5-phenyl-3-isoxazolyl) phosphorothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O,O-Diethyl O-(5-phenyl-3-isoxazolyl) phosphorothioate', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O,O-diethyl O-(5-phenyl-1,2-oxazol-3-yl) phosphorothionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O,O-diethyl O-(5-phenyl-1,2-oxazol-3-yl) phosphorothionate', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O,O-diethyl O-(5-phenylisoxazol-3-yl) thiophosphate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O,O-diethyl O-(5-phenylisoxazol-3-yl) thiophosphate', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O,o-diethyl O-5-phenylisoxazol-3-ylphosphorothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=18854-01-8; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-3d7967c7df233ed1
altLabel [{'@value': 'Karphos', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Karphos', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O,O-Diethyl O-(3-(5-phenyl)-1,2-isoxazolyl)phosphorothionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O,O-Diethyl O-(3-(5-phenyl)-1,2-isoxazolyl)phosphorothionate', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O,O-Diethyl O-(5-phenyl-3-isoxazolyl) phosphorothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O,O-Diethyl O-(5-phenyl-3-isoxazolyl) phosphorothioate', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O,O-diethyl O-(5-phenyl-1,2-oxazol-3-yl) phosphorothionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O,O-diethyl O-(5-phenyl-1,2-oxazol-3-yl) phosphorothionate', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O,O-diethyl O-(5-phenylisoxazol-3-yl) thiophosphate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O,O-diethyl O-(5-phenylisoxazol-3-yl) thiophosphate', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O,o-diethyl O-5-phenylisoxazol-3-ylphosphorothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': 'Karphos', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Karphos', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O,O-Diethyl O-(3-(5-phenyl)-1,2-isoxazolyl)phosphorothionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O,O-Diethyl O-(3-(5-phenyl)-1,2-isoxazolyl)phosphorothionate', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O,O-Diethyl O-(5-phenyl-3-isoxazolyl) phosphorothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O,O-Diethyl O-(5-phenyl-3-isoxazolyl) phosphorothioate', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O,O-diethyl O-(5-phenyl-1,2-oxazol-3-yl) phosphorothionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O,O-diethyl O-(5-phenyl-1,2-oxazol-3-yl) phosphorothionate', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O,O-diethyl O-(5-phenylisoxazol-3-yl) thiophosphate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O,O-diethyl O-(5-phenylisoxazol-3-yl) thiophosphate', 'http://purl.obolibrary.org/obo/CHEBI_34801', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-Isoxazolol, 5-phenyl-, <em>O</em>-ester with <em>O</em>,<em>O</em>-diethyl phosphorothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:18854-01-8', 'https://commonchemistry.cas.org/detail?cas_rn=18854-01-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphorothioic acid, <em>O</em>,<em>O</em>-diethyl <em>O</em>-(5-phenyl-3-isoxazolyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:18854-01-8', 'https://commonchemistry.cas.org/detail?cas_rn=18854-01-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=o,o-diethylo-5-phenylisoxazol-3-ylphosphorothioate||dimension=Environmental > media=Water > water_body=Surface water; cas=18854-01-8; added Common Chemistry CAS names as altLabel: 3-Isoxazolol, 5-phenyl-, <em>O</em>-ester with <em>O</em>,<em>O</em>-diethyl phosphorothioate, Phosphorothioic acid, <em>O</em>,<em>O</em>-diethyl <em>O</em>-(5-phenyl-3-isoxazolyl) ester; object_uuid=fo-3d7967c7df233ed1
cas_match_labels None {'18854-01-8': 'exactMatch'} group_key=o,o-diethylo-5-phenylisoxazol-3-ylphosphorothioate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'18854-01-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3d7967c7df233ed1: {'18854-01-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "4ace6abd-b424-4bbd-8510-b30d0d7ed235",
  "name": null,
  "cas_numbers": [
    "18854-01-8"
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  "ec_numbers": [
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  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Aircraft cruise height"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 65.183
    },
    {
      "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": 65.183
    }
  ],
  "source": "EF 3.1",
  "identifier": "4ace6abd-b424-4bbd-8510-b30d0d7ed235",
  "input_datasets": [
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      "source_flow_name": "o,o-diethyl o-5-phenylisoxazol-3-ylphosphorothioate",
      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to air",
          "Emissions to lower stratosphere and upper troposphere"
        ]
      }
    }
  ],
  "prefLabel": [
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    "context": "default_context_mapping",
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    "properties": "rdkit_post_consensus",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
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    "cas_match_labels": "consensus_match"
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-aicrhe",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
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      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "provenance": [
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      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
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      "rdfs:label": "InChIKey",
      "provenance": [
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