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4-Methylphenyl isocyanate

UUID 9df9fda2-6312-4bc3-b5fc-7e4c941f00c2
Flow Object IDfo-a0e59d4f209e993c
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 622-58-2
EC Numbers 210-743-4
prefLabel
Language Value Provenance
en 4-Methylphenyl isocyanate
altLabel ⓘ
Language Value Provenance
en 4-Isocyanatotoluene
en 4-Tol-NCO
en 4-Tolyl isocyanate
en Isocyanic acid, p-tolyl ester
en PTI
en TMI
en p-Isocyanatotoluene
en p-Methylphenyl isocyanate
en p-TMI
en p-Toluene isocyanate
en p-Tolyl isocyanate
en p-tolylmonoisocyanate
en para-tolyl monoisocyanate
en <em>p</em>-Isocyanatotoluene
en <em>p</em>-Methylphenyl isocyanate
en <em>p</em>-Tolyl isocyanate
en Benzene, 1-isocyanato-4-methyl-
en Isocyanic acid, <em>p</em>-tolyl ester
en 1-isocyanato-4-methylbenzene
Definitions
Language Value Provenance
en An isocyanate comprising a benzene core with isocyanato and methyl substituents para to each other.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey MGYGFNQQGAQEON-UHFFFAOYSA-N
InChI InChI=1S/C8H7NO/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
IUPAC name 1-isocyanato-4-methyl-benzene, 1-isocyanato-4-methylbenzene
Molecular formula C8H7NO
Molecular mass 133.15
Monoisotopic mass 133.05276
SMILES CC1=CC=C(C=C1)N=C=O, Cc1ccc(N=C=O)cc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 9df9fda2-6312-4bc3-b5fc-7e4c941f00c2 1-isocyanato-4-methylbenzene

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1-isocyanato-4-methylbenzene Emissions/Emissions to soil/Emissions to 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=1-isocyanato-4-methylbenzene||dimension=Environmental > media=Water > water_body=Unknown; cas=622-58-2; added Common Chemistry CAS names as altLabel: <em>p</em>-Isocyanatotoluene, <em>p</em>-Methylphenyl isocyanate, <em>p</em>-Tolyl isocyanate, Benzene, 1-isocyanato-4-methyl-, Isocyanic acid, <em>p</em>-tolyl ester; object_uuid=fo-a0e59d4f209e993c
cas_match_labels 1 — consensus_match group_key=1-isocyanato-4-methylbenzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'622-58-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a0e59d4f209e993c: {'622-58-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '4-Isocyanatotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Isocyanatotoluene', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Methylphenyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Methylphenyl isocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Tol-NCO', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Tol-NCO', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Tolyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Tolyl isocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isocyanic acid, p-tolyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isocyanic acid, p-tolyl ester', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PTI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PTI', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'TMI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:TMI', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-Isocyanatotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-Isocyanatotoluene', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-Methylphenyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-Methylphenyl isocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-TMI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-TMI', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-Toluene isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-Toluene isocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-Tolyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-Tolyl isocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-tolylmonoisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-tolylmonoisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'para-tolyl monoisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:para-tolyl monoisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '4-Isocyanatotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Isocyanatotoluene', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Methylphenyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Methylphenyl isocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Tol-NCO', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Tol-NCO', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Tolyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Tolyl isocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isocyanic acid, p-tolyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isocyanic acid, p-tolyl ester', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PTI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PTI', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'TMI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:TMI', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-Isocyanatotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-Isocyanatotoluene', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-Methylphenyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-Methylphenyl isocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-TMI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-TMI', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-Toluene isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-Toluene isocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-Tolyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-Tolyl isocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-tolylmonoisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-tolylmonoisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'para-tolyl monoisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:para-tolyl monoisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53732', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '<em>p</em>-Isocyanatotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:622-58-2', 'https://commonchemistry.cas.org/detail?cas_rn=622-58-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Methylphenyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:622-58-2', 'https://commonchemistry.cas.org/detail?cas_rn=622-58-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Tolyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:622-58-2', 'https://commonchemistry.cas.org/detail?cas_rn=622-58-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzene, 1-isocyanato-4-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:622-58-2', 'https://commonchemistry.cas.org/detail?cas_rn=622-58-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isocyanic acid, <em>p</em>-tolyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:622-58-2', 'https://commonchemistry.cas.org/detail?cas_rn=622-58-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1-isocyanato-4-methylbenzene||dimension=Environmental > media=Water > water_body=Unknown; cas=622-58-2; added Common Chemistry CAS names as altLabel: <em>p</em>-Isocyanatotoluene, <em>p</em>-Methylphenyl isocyanate, <em>p</em>-Tolyl isocyanate, Benzene, 1-isocyanato-4-methyl-, Isocyanic acid, <em>p</em>-tolyl ester; object_uuid=fo-a0e59d4f209e993c
cas_match_labels None {'622-58-2': 'exactMatch'} group_key=1-isocyanato-4-methylbenzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'622-58-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a0e59d4f209e993c: {'622-58-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
  "cas_numbers": [
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  "ec_numbers": [
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    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "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": 159.92
    },
    {
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      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 159.92
    }
  ],
  "source": "EF 3.1",
  "identifier": "9df9fda2-6312-4bc3-b5fc-7e4c941f00c2",
  "input_datasets": [
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      "source_flow_name": "1-isocyanato-4-methylbenzene",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to soil",
          "Emissions to agricultural soil"
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      }
    }
  ],
  "prefLabel": [
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    "https://w3id.org/chemrof/IUPAC_name": {
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