← Back to consensus flows

Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate

UUID aa614cc1-6854-4310-813c-c32c402afc45
Flow Object IDfo-b41c044b4f7a445c
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 507448-65-9
EC Numbers 801-277-8
prefLabel
Language Value Provenance
en Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate
altLabel
Language Value Provenance
en (<em>Z</em>)-4,4,4-Trifluoro-3-(methylamino)-2-butenoic acid ethyl ester
en 2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester, (2<em>Z</em>)-
en Ethyl (2<em>Z</em>)-4,4,4-trifluoro-3-(methylamino)-2-butenoate
en 4,4,4-trifluoro-3-methylamino-but-2-enoic Acid Ethyl Ester, (2z)
References
Shared Properties
Predicate Value
InChIKey NDCZMOSQVJGZCK-PLNGDYQASA-N
InChI InChI=1S/C7H10F3NO2/c1-3-13-6(12)4-5(11-2)7(8,9)10/h4,11H,3H2,1-2H3/b5-4-
IUPAC name (Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoic acid ethyl ester, (Z)-4,4,4-trifluoro-3-(methylamino)but-2-enoic acid ethyl ester, ethyl (Z)-4,4,4-trifluoro-3-(methylamino)but-2-enoate, ethyl (Z)-4,4,4-tris(fluoranyl)-3-(methylamino)but-2-enoate
Molecular formula C7H10F3NO2
SMILES CCOC(=O)/C=C(/C(F)(F)F)\NC, CCOC(=O)C=C(C(F)(F)F)NC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 aa614cc1-6854-4310-813c-c32c402afc45 4,4,4-trifluoro-3-methylamino-but-2-enoic acid ethyl ester, (2z)

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 4,4,4-trifluoro-3-methylamino-but-2-enoic acid ethyl ester, (2z) Emissions/Emissions to air/Emissions to air, 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=4,4,4-trifluoro-3-methylamino-but-2-enoicacidethylester,(2z)||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=507448-65-9; added Common Chemistry CAS names as altLabel: (<em>Z</em>)-4,4,4-Trifluoro-3-(methylamino)-2-butenoic acid ethyl ester, 2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester, (2<em>Z</em>)-, Ethyl (2<em>Z</em>)-4,4,4-trifluoro-3-(methylamino)-2-butenoate; object_uuid=fo-b41c044b4f7a445c
cas_match_labels 1 consensus_match group_key=4,4,4-trifluoro-3-methylamino-but-2-enoicacidethylester,(2z)||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=[]; cas_sources={'507448-65-9': []}; assigned CAS labels from group consensus; object_uuid=fo-b41c044b4f7a445c: {'507448-65-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(<em>Z</em>)-4,4,4-Trifluoro-3-(methylamino)-2-butenoic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:507448-65-9', 'https://commonchemistry.cas.org/detail?cas_rn=507448-65-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester, (2<em>Z</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:507448-65-9', 'https://commonchemistry.cas.org/detail?cas_rn=507448-65-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl (2<em>Z</em>)-4,4,4-trifluoro-3-(methylamino)-2-butenoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:507448-65-9', 'https://commonchemistry.cas.org/detail?cas_rn=507448-65-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=4,4,4-trifluoro-3-methylamino-but-2-enoicacidethylester,(2z)||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=507448-65-9; added Common Chemistry CAS names as altLabel: (<em>Z</em>)-4,4,4-Trifluoro-3-(methylamino)-2-butenoic acid ethyl ester, 2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester, (2<em>Z</em>)-, Ethyl (2<em>Z</em>)-4,4,4-trifluoro-3-(methylamino)-2-butenoate; object_uuid=fo-b41c044b4f7a445c
cas_match_labels None {'507448-65-9': 'exactMatch'} group_key=4,4,4-trifluoro-3-methylamino-but-2-enoicacidethylester,(2z)||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=[]; cas_sources={'507448-65-9': []}; assigned CAS labels from group consensus; object_uuid=fo-b41c044b4f7a445c: {'507448-65-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "aa614cc1-6854-4310-813c-c32c402afc45",
  "name": null,
  "cas_numbers": [
    "507448-65-9"
  ],
  "ec_numbers": [
    "801-277-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "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": 0.42723
    },
    {
      "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": 7.9275e-6
    },
    {
      "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": 7.9275e-6
    },
    {
      "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": 0.42723
    }
  ],
  "source": "EF 3.1",
  "identifier": "aa614cc1-6854-4310-813c-c32c402afc45",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "aa614cc1-6854-4310-813c-c32c402afc45",
      "source_flow_name": "4,4,4-trifluoro-3-methylamino-but-2-enoic acid ethyl ester, (2z)",
      "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 air",
          "Emissions to air, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:507448-65-9",
          "CID:5706459"
        ],
        "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-air-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": [
        "C7H10F3NO2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5706459"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "NDCZMOSQVJGZCK-PLNGDYQASA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5706459"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCOC(=O)/C=C(/C(F)(F)F)\\NC",
        "CCOC(=O)C=C(C(F)(F)F)NC"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5706459"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C7H10F3NO2/c1-3-13-6(12)4-5(11-2)7(8,9)10/h4,11H,3H2,1-2H3/b5-4-"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5706459"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(Z)-4,4,4-trifluoro-3-(methylamino)-2-butenoic acid ethyl ester",
        "(Z)-4,4,4-trifluoro-3-(methylamino)but-2-enoic acid ethyl ester",
        "ethyl (Z)-4,4,4-trifluoro-3-(methylamino)but-2-enoate",
        "ethyl (Z)-4,4,4-tris(fluoranyl)-3-(methylamino)but-2-enoate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5706459"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.227.912",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5706459;CAS:507448-65-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[507448-65-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=507448-65-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5706459;CAS:507448-65-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[507448-65-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID401208356",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5706459;CAS:507448-65-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[507448-65-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/5706459",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5706459;CAS:507448-65-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[507448-65-9]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(<em>Z</em>)-4,4,4-Trifluoro-3-(methylamino)-2-butenoic acid ethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:507448-65-9",
          "https://commonchemistry.cas.org/detail?cas_rn=507448-65-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester, (2<em>Z</em>)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:507448-65-9",
          "https://commonchemistry.cas.org/detail?cas_rn=507448-65-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl (2<em>Z</em>)-4,4,4-trifluoro-3-(methylamino)-2-butenoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:507448-65-9",
          "https://commonchemistry.cas.org/detail?cas_rn=507448-65-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4,4-trifluoro-3-methylamino-but-2-enoic Acid Ethyl Ester, (2z)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "aa614cc1-6854-4310-813c-c32c402afc45"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "507448-65-9": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/aa614cc1-6854-4310-813c-c32c402afc45",
        "skos:prefLabel": "4,4,4-trifluoro-3-methylamino-but-2-enoic acid ethyl ester, (2z)",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/aa614cc1-6854-4310-813c-c32c402afc45"
      },
      "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-b41c044b4f7a445c"
}