← Back to consensus flows

1,3-diethylcyclohexane

UUID 4d9a8790-3ddd-11dd-8dca-0050c2490048
Flow Object IDfo-700ca49f2da25158
Source EF 3.1
Context Environmental → Air → Ground level → Rural (<1000 people/square mile)
CAS Numbers 1331-43-7
prefLabel
Language Value Provenance
en 1,3-diethylcyclohexane
altLabel
Language Value Provenance
en Cyclohexane, diethyl-
en Diethylcyclohexane
References
Shared Properties
Predicate Value
InChIKey GCYUJISWSVALJD-UHFFFAOYSA-N, SMAKEJNOUFLEEJ-UHFFFAOYSA-N
InChI InChI=1S/C10H20/c1-3-10(4-2)8-6-5-7-9-10/h3-9H2,1-2H3, InChI=1S/C10H20/c1-3-9-5-7-10(4-2)8-6-9/h9-10H,3-8H2,1-2H3
IUPAC name 1,1-diethylcyclohexane, 1,4-diethylcyclohexane
Molecular formula C10H20
SMILES CCC1(CCCCC1)CC, CCC1CCC(CC1)CC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 4d9a8790-3ddd-11dd-8dca-0050c2490048 1,3-diethylcyclohexane

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1,3-diethylcyclohexane 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=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; cas=1331-43-7; added Common Chemistry CAS names as altLabel: Cyclohexane, diethyl-, Diethylcyclohexane; object_uuid=fo-700ca49f2da25158
cas_match_labels 1 consensus_match group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'1331-43-7': []}; assigned CAS labels from group consensus; object_uuid=fo-700ca49f2da25158: {'1331-43-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityRural (<1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Cyclohexane, diethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1331-43-7', 'https://commonchemistry.cas.org/detail?cas_rn=1331-43-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diethylcyclohexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1331-43-7', 'https://commonchemistry.cas.org/detail?cas_rn=1331-43-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; cas=1331-43-7; added Common Chemistry CAS names as altLabel: Cyclohexane, diethyl-, Diethylcyclohexane; object_uuid=fo-700ca49f2da25158
cas_match_labels None {'1331-43-7': 'exactMatch'} group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'1331-43-7': []}; assigned CAS labels from group consensus; object_uuid=fo-700ca49f2da25158: {'1331-43-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "4d9a8790-3ddd-11dd-8dca-0050c2490048",
  "name": null,
  "cas_numbers": [
    "1331-43-7"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Rural (<1000 people/square mile)"
  },
  "general_comment": "Correct mapping CAS and flow to be verified, potentially wrong. Note that the CAS No is the relevant identifier, to which also the ILCD LCIA characterisation factors relate. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "4d9a8790-3ddd-11dd-8dca-0050c2490048",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "4d9a8790-3ddd-11dd-8dca-0050c2490048",
      "source_flow_name": "1,3-diethylcyclohexane",
      "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": "1,3-diethylcyclohexane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "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": [
        "C10H20"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14910",
          "CID:12644944"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GCYUJISWSVALJD-UHFFFAOYSA-N",
        "SMAKEJNOUFLEEJ-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14910",
          "CID:12644944"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCC1(CCCCC1)CC",
        "CCC1CCC(CC1)CC"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14910",
          "CID:12644944"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C10H20/c1-3-10(4-2)8-6-5-7-9-10/h3-9H2,1-2H3",
        "InChI=1S/C10H20/c1-3-9-5-7-10(4-2)8-6-9/h9-10H,3-8H2,1-2H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14910",
          "CID:12644944"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1,1-diethylcyclohexane",
        "1,4-diethylcyclohexane"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14910",
          "CID:12644944"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.367.319E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14910;CAS:1331-43-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1331-43-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=1331-43-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14910;CAS:1331-43-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1331-43-7]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID001025716",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14910;CAS:1331-43-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1331-43-7]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID401025718",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14910;CAS:1331-43-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1331-43-7]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID50897346",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14910;CAS:1331-43-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1331-43-7]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID90999252",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12644944;CAS:1331-43-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1331-43-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/12644944",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12644944;CAS:1331-43-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1331-43-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/14910",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14910;CAS:1331-43-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1331-43-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82873310",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14910;CAS:1331-43-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1331-43-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82992154",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12644944;CAS:1331-43-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1331-43-7]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Cyclohexane, diethyl-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1331-43-7",
          "https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethylcyclohexane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1331-43-7",
          "https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "1331-43-7": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-11dd-8dca-0050c2490048",
        "skos:prefLabel": "1,3-diethylcyclohexane",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified (long-term)",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/4d9a8790-3ddd-11dd-8dca-0050c2490048"
      },
      "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-700ca49f2da25158"
}