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Isoprothiolane

UUID 6c58b6df-9ab6-4ee7-a420-7d54917b198c
Flow Object IDfo-45688ee371956e3c
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 50512-35-1
EC Numbers 610-537-8
prefLabel ⓘ
Language Value Provenance
en Isoprothiolane
altLabel ⓘ
Language Value Provenance
en bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate
en di(propan-2-yl) 1,3-dithiolan-2-ylidenemalonate
en di-isopropyl 1,3-dithiolane-2-ylidenemalonate
en diisopropyl 1,3-dithiolan-2-ylidenemalonate
en diisopropyl 2-(1,3-dithiolan-2-ylidene)malonate
en Fuji-one
en IPT
en IPT (pesticide)
en NKK 100
en NNF 109
en Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester
en Propanedioic acid, 2-(1,3-dithiolan-2-ylidene)-, 1,3-bis(1-methylethyl) ester
Definitions
Language Value Provenance
en A malonate ester that is diisopropyl malonate in which the two methylene hydrogens at position 2 are replaced by a 1,3-dithiolan-2-ylidene group. An insecticide and fungicide used to control a range of diseases including Pyricularia oryzae, Helminthosporium sigmoideum and Fusarium nivale.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey UFHLMYOGRXOCSL-UHFFFAOYSA-N
InChI InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3
IUPAC name 2-(1,3-dithiolan-2-ylidene)malonic acid diisopropyl ester, 2-(1,3-dithiolan-2-ylidene)propanedioic acid dipropan-2-yl ester, diisopropyl 2-(1,3-dithiolan-2-ylidene)propanedioate, dipropan-2-yl 2-(1,3-dithiolan-2-ylidene)propanedioate
Molecular formula C12H18O4S2
Molecular mass 290.406
Monoisotopic mass 290.06465
SMILES CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C, CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 6c58b6df-9ab6-4ee7-a420-7d54917b198c ipt (isoprothiolane)

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 ipt (isoprothiolane) Emissions/Emissions to water/Emissions to fresh water 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=ipt(isoprothiolane)||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=50512-35-1; added Common Chemistry CAS names as altLabel: Fuji-one, IPT, IPT (pesticide), NKK 100, NNF 109, Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, Propanedioic acid, 2-(1,3-dithiolan-2-ylidene)-, 1,3-bis(1-methylethyl) ester; object_uuid=fo-45688ee371956e3c
cas_match_labels 1 — consensus_match group_key=ipt(isoprothiolane)||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi']; cas_sources={'50512-35-1': ['chebi']}; assigned CAS labels from group consensus; object_uuid=fo-45688ee371956e3c: {'50512-35-1': 'exactMatch'}
prefLabel 1 — consensus_match cas=50512-35-1; cc_chebi_agreed_name='Isoprothiolane'; object_uuid=fo-45688ee371956e3c

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Ipt (isoprothiolane)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Isoprothiolane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:50512-35-1'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=50512-35-1; cc_chebi_agreed_name='Isoprothiolane'; object_uuid=fo-45688ee371956e3c
altLabel [{'@value': 'Isoprothiolane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isoprothiolane', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'di(propan-2-yl) 1,3-dithiolan-2-ylidenemalonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:di(propan-2-yl) 1,3-dithiolan-2-ylidenemalonate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'di-isopropyl 1,3-dithiolane-2-ylidenemalonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:di-isopropyl 1,3-dithiolane-2-ylidenemalonate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'diisopropyl 1,3-dithiolan-2-ylidenemalonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diisopropyl 1,3-dithiolan-2-ylidenemalonate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'diisopropyl 2-(1,3-dithiolan-2-ylidene)malonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diisopropyl 2-(1,3-dithiolan-2-ylidene)malonate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'di(propan-2-yl) 1,3-dithiolan-2-ylidenemalonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:di(propan-2-yl) 1,3-dithiolan-2-ylidenemalonate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'di-isopropyl 1,3-dithiolane-2-ylidenemalonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:di-isopropyl 1,3-dithiolane-2-ylidenemalonate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'diisopropyl 1,3-dithiolan-2-ylidenemalonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diisopropyl 1,3-dithiolan-2-ylidenemalonate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'diisopropyl 2-(1,3-dithiolan-2-ylidene)malonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diisopropyl 2-(1,3-dithiolan-2-ylidene)malonate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ipt (isoprothiolane)', '@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=50512-35-1; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-45688ee371956e3c
altLabel [{'@value': 'bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'di(propan-2-yl) 1,3-dithiolan-2-ylidenemalonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:di(propan-2-yl) 1,3-dithiolan-2-ylidenemalonate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'di-isopropyl 1,3-dithiolane-2-ylidenemalonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:di-isopropyl 1,3-dithiolane-2-ylidenemalonate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'diisopropyl 1,3-dithiolan-2-ylidenemalonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diisopropyl 1,3-dithiolan-2-ylidenemalonate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'diisopropyl 2-(1,3-dithiolan-2-ylidene)malonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diisopropyl 2-(1,3-dithiolan-2-ylidene)malonate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ipt (isoprothiolane)', '@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': 'bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'di(propan-2-yl) 1,3-dithiolan-2-ylidenemalonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:di(propan-2-yl) 1,3-dithiolan-2-ylidenemalonate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'di-isopropyl 1,3-dithiolane-2-ylidenemalonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:di-isopropyl 1,3-dithiolane-2-ylidenemalonate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'diisopropyl 1,3-dithiolan-2-ylidenemalonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diisopropyl 1,3-dithiolan-2-ylidenemalonate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'diisopropyl 2-(1,3-dithiolan-2-ylidene)malonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diisopropyl 2-(1,3-dithiolan-2-ylidene)malonate', 'http://purl.obolibrary.org/obo/CHEBI_6047', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Fuji-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:50512-35-1', 'https://commonchemistry.cas.org/detail?cas_rn=50512-35-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'IPT', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:50512-35-1', 'https://commonchemistry.cas.org/detail?cas_rn=50512-35-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'IPT (pesticide)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:50512-35-1', 'https://commonchemistry.cas.org/detail?cas_rn=50512-35-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NKK 100', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:50512-35-1', 'https://commonchemistry.cas.org/detail?cas_rn=50512-35-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NNF 109', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:50512-35-1', 'https://commonchemistry.cas.org/detail?cas_rn=50512-35-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:50512-35-1', 'https://commonchemistry.cas.org/detail?cas_rn=50512-35-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanedioic acid, 2-(1,3-dithiolan-2-ylidene)-, 1,3-bis(1-methylethyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:50512-35-1', 'https://commonchemistry.cas.org/detail?cas_rn=50512-35-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=ipt(isoprothiolane)||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=50512-35-1; added Common Chemistry CAS names as altLabel: Fuji-one, IPT, IPT (pesticide), NKK 100, NNF 109, Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, Propanedioic acid, 2-(1,3-dithiolan-2-ylidene)-, 1,3-bis(1-methylethyl) ester; object_uuid=fo-45688ee371956e3c
cas_match_labels None {'50512-35-1': 'exactMatch'} group_key=ipt(isoprothiolane)||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi']; cas_sources={'50512-35-1': ['chebi']}; assigned CAS labels from group consensus; object_uuid=fo-45688ee371956e3c: {'50512-35-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "6c58b6df-9ab6-4ee7-a420-7d54917b198c",
  "name": null,
  "cas_numbers": [
    "50512-35-1"
  ],
  "ec_numbers": [
    "610-537-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Surface water"
  },
  "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": 2845.9
    },
    {
      "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": 2845.9
    }
  ],
  "source": "EF 3.1",
  "identifier": "6c58b6df-9ab6-4ee7-a420-7d54917b198c",
  "input_datasets": [
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      "source_flow_name": "ipt (isoprothiolane)",
      "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 fresh water"
        ]
      }
    }
  ],
  "prefLabel": [
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      "@value": "Isoprothiolane",
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  "_sources": {
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    "context": "default_context_mapping",
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  "properties": {
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      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
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      "rdfs:label": "InChI",
      "provenance": [
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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      "rdfs:label": "InChIKey",
      "provenance": [
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