1-ethyl-4-methylcyclohexane

Substance: fo-c1d276b2336f4aff NeutralMolecule
Source: EF 3.1
Unit: kg
Context: Environmental → Water → Long-term
CAS: 6236-88-0
EC: —
Dimension: Environmental
Media: Water
Water body: Long-term
List	Version	Source flow	Name there	Why this flow
EF	3.1	1f31c0a5-6556-11dd-ad8b-0800200c9a66	1-ethyl-4-methylcyclohexane	The consensus list is built from this one, so this row is the flow itself rather than something matched to it.
Source list	Source flow	Name there	Compartment there	Match	Conversion
EF 3.1	1f31c0a5-6556-11dd-ad8b-0800200c9a66	1-ethyl-4-methylcyclohexane	Emissions/Emissions to water/Emissions to water, unspecified (long-term)	exactMatch	—
The change log and the PROV-O trail (1 consensus changes)
Open the changes page
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Flow JSON
{
  "altLabel": [],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H18"
      ],
      "attested_by": {
        "C9H18": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:19503"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC1CCC(C)CC1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "CYISMTMRBPPERU-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "CYISMTMRBPPERU-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:19503"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC1CCC(C)CC1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCC1CCC(C)CC1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1-ethyl-4-methylcyclohexane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC1CCC(C)CC1"
          ]
        }
      ],
      "attested_by": {
        "CCC1CCC(C)CC1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C9H18/c1-3-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1-ethyl-4-methylcyclohexane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC1CCC(C)CC1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C9H18/c1-3-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1-ethyl-4-methylcyclohexane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1-ethyl-4-methylcyclohexane"
        ]
      },
      "attested_by": {
        "1-ethyl-4-methylcyclohexane": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        126.243
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC1CCC(CC1)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC1CCC(C)CC1"
          ]
        }
      ],
      "attested_by": {
        "126.243": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        126.140851
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC1CCC(CC1)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC1CCC(C)CC1"
          ]
        }
      ],
      "attested_by": {
        "126.140851": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J100.555C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19503;CAS:6236-88-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6236-88-0]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J113.374H",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19503;CAS:6236-88-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6236-88-0]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J382.997I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19503;CAS:6236-88-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6236-88-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.204.893",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19503;CAS:6236-88-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6236-88-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=3728-56-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19503;CAS:6236-88-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6236-88-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=6236-88-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "6236-88-0"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID001025635",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19503;CAS:6236-88-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6236-88-0]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID00190733",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19503;CAS:6236-88-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6236-88-0]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID201015854",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19503;CAS:6236-88-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6236-88-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/19503",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19503;CAS:6236-88-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[6236-88-0]"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49778",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19503;CAS:6236-88-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6236-88-0]"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49779",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19503;CAS:6236-88-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6236-88-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q81985529",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19503;CAS:6236-88-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6236-88-0]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "1-ethyl-4-methylcyclohexane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "1f31c0a5-6556-11dd-ad8b-0800200c9a66",
  "identifier": "1f31c0a5-6556-11dd-ad8b-0800200c9a66",
  "source": "EF 3.1",
  "cas_numbers": [
    "6236-88-0"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Long-term"
  },
  "synonyms": [],
  "lcia_methods": [],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-lote",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-c1d276b2336f4aff",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/1f31c0a5-6556-11dd-ad8b-0800200c9a66",
        "skos:prefLabel": "1-ethyl-4-methylcyclohexane",
        "context": "Emissions/Emissions to water/Emissions to water, unspecified (long-term)",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/1f31c0a5-6556-11dd-ad8b-0800200c9a66"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/1f31c0a5-6556-11dd-ad8b-0800200c9a66"
      },
      "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"
        ]
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "normalise_property_values",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "6236-88-0": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "1-ethyl-4-methylcyclohexane",
    "synonyms": [
      "1-Ethyl-4-methylcyclohexane cis-",
      "1-Ethyl-4-methylcyclohexane trans-",
      "AC1L2E97",
      "Cyclohexane, 1-ethyl-4-methyl-",
      "Cyclohexane, 1-ethyl-4-methyl-, cis-",
      "Cyclohexane, 1-ethyl-4-methyl-, trans-",
      "E0424",
      "cis-1-Ethyl-4-Methylcyclohexane",
      "trans-1-Ethyl-4-Methylcyclohexane"
    ],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to water, unspecified (long-term)"
    ],
    "cas_numbers": [
      "6236-88-0"
    ],
    "ec_numbers": [],
    "unit": "kg"
  }
}
1-ethyl-4-methylcyclohexane

Identity

Context

Source lists

Concept associations

History

Full record

Keyboard
