Diethyl Cyclopentane-1,2-dicarboxylate

← Back to consensus flows

Diethyl Cyclopentane-1,2-dicarboxylate

UUID 31c78264-7d27-4a86-8f64-76945b7acb88

Flow Object ID fo-1033f34e6ddbf9ba

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

CAS Numbers 90474-13-8

EC Numbers 291-751-5

prefLabel

Language	Value	Provenance
`en`	`Diethyl Cyclopentane-1,2-dicarboxylate`

altLabel ⓘ

Language	Value	Provenance
`en`	`1,2-Bis(ethoxycarbonyl)cyclopentane`
`en`	`1,2-Cyclopentanedicarboxylic acid, 1,2-diethyl ester`
`en`	`1,2-Cyclopentanedicarboxylic acid, diethyl ester`
`en`	`1,2-Diethyl 1,2-cyclopentanedicarboxylate`

References

Shared Properties

Predicate	Value
InChIKey	`YLRALQSVMCXBSD-RKDXNWHRSA-N, YLRALQSVMCXBSD-UHFFFAOYSA-N`
InChI	`InChI=1S/C11H18O4/c1-3-14-10(12)8-6-5-7-9(8)11(13)15-4-2/h8-9H,3-7H2,1-2H3, InChI=1S/C11H18O4/c1-3-14-10(12)8-6-5-7-9(8)11(13)15-4-2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1`
IUPAC name	`cyclopentane-1,2-dicarboxylic acid diethyl ester, diethyl cyclopentane-1,2-dicarboxylate, trans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid diethyl ester, trans-diethyl (1R,2R)-cyclopentane-1,2-dicarboxylate`
Molecular formula	`C11H18O4`
SMILES	`CCOC(=O)C1CCCC1C(=O)OCC, CCOC(=O)[C@@H]1CCC[C@H]1C(=O)OCC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`31c78264-7d27-4a86-8f64-76945b7acb88`	diethyl cyclopentane-1,2-dicarboxylate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	diethyl cyclopentane-1,2-dicarboxylate	Emissions/Emissions to air/Emissions to air, unspecified (long-term)	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=diethylcyclopentane-1,2-dicarboxylate\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=90474-13-8; added Common Chemistry CAS names as altLabel: 1,2-Bis(ethoxycarbonyl)cyclopentane, 1,2-Cyclopentanedicarboxylic acid, 1,2-diethyl ester, 1,2-Cyclopentanedicarboxylic acid, diethyl ester, 1,2-Diethyl 1,2-cyclopentanedicarboxylate; object_uuid=fo-1033f34e6ddbf9ba
`cas_match_labels`	1	`—`	consensus_match	group_key=diethylcyclopentane-1,2-dicarboxylate\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'90474-13-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1033f34e6ddbf9ba: {'90474-13-8': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Rural (<1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1,2-Bis(ethoxycarbonyl)cyclopentane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90474-13-8', 'https://commonchemistry.cas.org/detail?cas_rn=90474-13-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,2-Cyclopentanedicarboxylic acid, 1,2-diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90474-13-8', 'https://commonchemistry.cas.org/detail?cas_rn=90474-13-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,2-Cyclopentanedicarboxylic acid, diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90474-13-8', 'https://commonchemistry.cas.org/detail?cas_rn=90474-13-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,2-Diethyl 1,2-cyclopentanedicarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90474-13-8', 'https://commonchemistry.cas.org/detail?cas_rn=90474-13-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=diethylcyclopentane-1,2-dicarboxylate\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=90474-13-8; added Common Chemistry CAS names as altLabel: 1,2-Bis(ethoxycarbonyl)cyclopentane, 1,2-Cyclopentanedicarboxylic acid, 1,2-diethyl ester, 1,2-Cyclopentanedicarboxylic acid, diethyl ester, 1,2-Diethyl 1,2-cyclopentanedicarboxylate; object_uuid=fo-1033f34e6ddbf9ba
`cas_match_labels`	`None`	`{'90474-13-8': 'exactMatch'}`	group_key=diethylcyclopentane-1,2-dicarboxylate\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'90474-13-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1033f34e6ddbf9ba: {'90474-13-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "31c78264-7d27-4a86-8f64-76945b7acb88",
  "name": null,
  "cas_numbers": [
    "90474-13-8"
  ],
  "ec_numbers": [
    "291-751-5"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Rural (<1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "31c78264-7d27-4a86-8f64-76945b7acb88",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "31c78264-7d27-4a86-8f64-76945b7acb88",
      "source_flow_name": "diethyl cyclopentane-1,2-dicarboxylate",
      "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 (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Diethyl Cyclopentane-1,2-dicarboxylate",
      "@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-air-grle-ru10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H18O4"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3021700",
          "CID:57377009"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "YLRALQSVMCXBSD-RKDXNWHRSA-N",
        "YLRALQSVMCXBSD-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3021700",
          "CID:57377009"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCOC(=O)C1CCCC1C(=O)OCC",
        "CCOC(=O)[C@@H]1CCC[C@H]1C(=O)OCC"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3021700",
          "CID:57377009"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C11H18O4/c1-3-14-10(12)8-6-5-7-9(8)11(13)15-4-2/h8-9H,3-7H2,1-2H3",
        "InChI=1S/C11H18O4/c1-3-14-10(12)8-6-5-7-9(8)11(13)15-4-2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3021700",
          "CID:57377009"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "cyclopentane-1,2-dicarboxylic acid diethyl ester",
        "diethyl cyclopentane-1,2-dicarboxylate",
        "trans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid diethyl ester",
        "trans-diethyl (1R,2R)-cyclopentane-1,2-dicarboxylate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3021700",
          "CID:57377009"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J285.375B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:57377009;CAS:90474-13-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[90474-13-8]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J333.351E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3021700;CAS:90474-13-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[90474-13-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.045.709",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:57377009;CAS:90474-13-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[90474-13-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.083.378",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3021700;CAS:90474-13-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[90474-13-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=30689-38-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:57377009;CAS:90474-13-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[90474-13-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=90474-13-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3021700;CAS:90474-13-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[90474-13-8]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID20920372",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3021700;CAS:90474-13-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[90474-13-8]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID501214984",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:57377009;CAS:90474-13-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[90474-13-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/3021700",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3021700;CAS:90474-13-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[90474-13-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/57377009",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:57377009;CAS:90474-13-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[90474-13-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82893070",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3021700;CAS:90474-13-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[90474-13-8]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Bis(ethoxycarbonyl)cyclopentane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:90474-13-8",
          "https://commonchemistry.cas.org/detail?cas_rn=90474-13-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Cyclopentanedicarboxylic acid, 1,2-diethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:90474-13-8",
          "https://commonchemistry.cas.org/detail?cas_rn=90474-13-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Cyclopentanedicarboxylic acid, diethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:90474-13-8",
          "https://commonchemistry.cas.org/detail?cas_rn=90474-13-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Diethyl 1,2-cyclopentanedicarboxylate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:90474-13-8",
          "https://commonchemistry.cas.org/detail?cas_rn=90474-13-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "90474-13-8": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/31c78264-7d27-4a86-8f64-76945b7acb88",
        "skos:prefLabel": "diethyl cyclopentane-1,2-dicarboxylate",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified (long-term)",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/31c78264-7d27-4a86-8f64-76945b7acb88"
      },
      "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-1033f34e6ddbf9ba"
}