← Back to consensus flows

Diethyl Fluoromalonate

UUID eb34d0eb-bb62-48c4-b1b0-4f5e12cf8d5a
Deprecated yes
Replaced By 857490c8-a8fb-40cf-9b16-cb967b50869a
Flow Object IDfo-d25d7e5dbd65d572
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 685-88-1
EC Numbers 211-684-7
prefLabel
Language Value Provenance
en Diethyl Fluoromalonate
altLabel ⓘ
Language Value Provenance
en 1,3-Diethyl 2-fluoropropanedioate
en 2-Fluoromalonic acid diethyl ester
en Diethyl 2-fluoromalonate
en Ethyl fluoromalonate
en Fluoromalonic acid diethyl ester
en Fluoropropanedioic acid diethyl ester
en Malonic acid, fluoro-, diethyl ester
en NSC 521723
en Propanedioic acid, 2-fluoro-, 1,3-diethyl ester
en Propanedioic acid, fluoro-, diethyl ester
References
Shared Properties
Predicate Value
InChIKey GOWQBFVDZPZZFA-UHFFFAOYSA-N
InChI InChI=1S/C7H11FO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
IUPAC name 2-fluoromalonic acid diethyl ester, 2-fluoropropanedioic acid diethyl ester, diethyl 2-fluoranylpropanedioate, diethyl 2-fluoropropanedioate
Molecular formula C7H11FO4
SMILES CCOC(=O)C(C(=O)OCC)F

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 eb34d0eb-bb62-48c4-b1b0-4f5e12cf8d5a diethyl fluoromalonate

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=diethylfluoromalonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=685-88-1; added Common Chemistry CAS names as altLabel: 1,3-Diethyl 2-fluoropropanedioate, 2-Fluoromalonic acid diethyl ester, Diethyl 2-fluoromalonate, Ethyl fluoromalonate, Fluoromalonic acid diethyl ester, Fluoropropanedioic acid diethyl ester, Malonic acid, fluoro-, diethyl ester, NSC 521723, Propanedioic acid, 2-fluoro-, 1,3-diethyl ester, Propanedioic acid, fluoro-, diethyl ester; object_uuid=fo-d25d7e5dbd65d572
cas_match_labels 1 — consensus_match group_key=diethylfluoromalonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'685-88-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d25d7e5dbd65d572: {'685-88-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,3-Diethyl 2-fluoropropanedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:685-88-1', 'https://commonchemistry.cas.org/detail?cas_rn=685-88-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Fluoromalonic acid diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:685-88-1', 'https://commonchemistry.cas.org/detail?cas_rn=685-88-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diethyl 2-fluoromalonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:685-88-1', 'https://commonchemistry.cas.org/detail?cas_rn=685-88-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl fluoromalonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:685-88-1', 'https://commonchemistry.cas.org/detail?cas_rn=685-88-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fluoromalonic acid diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:685-88-1', 'https://commonchemistry.cas.org/detail?cas_rn=685-88-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fluoropropanedioic acid diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:685-88-1', 'https://commonchemistry.cas.org/detail?cas_rn=685-88-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Malonic acid, fluoro-, diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:685-88-1', 'https://commonchemistry.cas.org/detail?cas_rn=685-88-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 521723', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:685-88-1', 'https://commonchemistry.cas.org/detail?cas_rn=685-88-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanedioic acid, 2-fluoro-, 1,3-diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:685-88-1', 'https://commonchemistry.cas.org/detail?cas_rn=685-88-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanedioic acid, fluoro-, diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:685-88-1', 'https://commonchemistry.cas.org/detail?cas_rn=685-88-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=diethylfluoromalonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=685-88-1; added Common Chemistry CAS names as altLabel: 1,3-Diethyl 2-fluoropropanedioate, 2-Fluoromalonic acid diethyl ester, Diethyl 2-fluoromalonate, Ethyl fluoromalonate, Fluoromalonic acid diethyl ester, Fluoropropanedioic acid diethyl ester, Malonic acid, fluoro-, diethyl ester, NSC 521723, Propanedioic acid, 2-fluoro-, 1,3-diethyl ester, Propanedioic acid, fluoro-, diethyl ester; object_uuid=fo-d25d7e5dbd65d572
cas_match_labels None {'685-88-1': 'exactMatch'} group_key=diethylfluoromalonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'685-88-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d25d7e5dbd65d572: {'685-88-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "eb34d0eb-bb62-48c4-b1b0-4f5e12cf8d5a",
  "name": null,
  "cas_numbers": [
    "685-88-1"
  ],
  "ec_numbers": [
    "211-684-7"
  ],
  "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": 120730.0
    },
    {
      "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": 120730.0
    }
  ],
  "source": "EF 3.1",
  "identifier": "eb34d0eb-bb62-48c4-b1b0-4f5e12cf8d5a",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "eb34d0eb-bb62-48c4-b1b0-4f5e12cf8d5a",
      "source_flow_name": "diethyl fluoromalonate",
      "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 soil, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Diethyl Fluoromalonate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "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": "consensus_match",
    "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": [
        "C7H11FO4"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12702"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GOWQBFVDZPZZFA-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12702"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCOC(=O)C(C(=O)OCC)F"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12702"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C7H11FO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12702"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-fluoromalonic acid diethyl ester",
        "2-fluoropropanedioic acid diethyl ester",
        "diethyl 2-fluoranylpropanedioate",
        "diethyl 2-fluoropropanedioate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12702"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J205.996G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12702;CAS:685-88-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[685-88-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.010.623",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12702;CAS:685-88-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[685-88-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=685-88-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12702;CAS:685-88-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[685-88-1]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID80218626",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12702;CAS:685-88-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[685-88-1]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=521723",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12702;CAS:685-88-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[685-88-1]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9RG5PXU326",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12702;CAS:685-88-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[685-88-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/12702",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12702;CAS:685-88-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[685-88-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72461939",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12702;CAS:685-88-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[685-88-1]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Diethyl 2-fluoropropanedioate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:685-88-1",
          "https://commonchemistry.cas.org/detail?cas_rn=685-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Fluoromalonic acid diethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:685-88-1",
          "https://commonchemistry.cas.org/detail?cas_rn=685-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethyl 2-fluoromalonate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:685-88-1",
          "https://commonchemistry.cas.org/detail?cas_rn=685-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl fluoromalonate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:685-88-1",
          "https://commonchemistry.cas.org/detail?cas_rn=685-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fluoromalonic acid diethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:685-88-1",
          "https://commonchemistry.cas.org/detail?cas_rn=685-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fluoropropanedioic acid diethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:685-88-1",
          "https://commonchemistry.cas.org/detail?cas_rn=685-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Malonic acid, fluoro-, diethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:685-88-1",
          "https://commonchemistry.cas.org/detail?cas_rn=685-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NSC 521723",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:685-88-1",
          "https://commonchemistry.cas.org/detail?cas_rn=685-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanedioic acid, 2-fluoro-, 1,3-diethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:685-88-1",
          "https://commonchemistry.cas.org/detail?cas_rn=685-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanedioic acid, fluoro-, diethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:685-88-1",
          "https://commonchemistry.cas.org/detail?cas_rn=685-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "685-88-1": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:857490c8-a8fb-40cf-9b16-cb967b50869a",
  "is_replaced_by_uuid": "857490c8-a8fb-40cf-9b16-cb967b50869a",
  "flow_object_id": "fo-d25d7e5dbd65d572"
}