Brightway Flows 1.0
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Dimethyl Hexynediol

361141f71d90163f191e28691cd74c49ea835c64

Identity

Substance
fo-664853ebe99e6026 Neutral molecule
Source
ecoinvent algorithm addition
Unit
kg
Context
Environmental → Water → Unknown
CAS
142-30-3
EC
205-533-4

Context

Dimension
Environmental
Media
Water
Water body
Unknown

Source lists

2
List Version Source flow Name there Why this flow
ecoinvent 3.12 95a9f739-736a-57fe-b592-dfb52251ef1e Dimethyl hexynediol Nothing in the list carried this substance, so this flow was created from this row.
ecoinvent 3.8 95a9f739-736a-57fe-b592-dfb52251ef1e Dimethyl hexynediol The CAS numbers are the same (142-30-3); both name the same compartment.

Concept associations

2
Source list Source flow Name there Compartment there Match Conversion
ecoinvent 3.12 95a9f739-736a-57fe-b592-dfb52251ef1e Dimethyl Hexynediol water / unspecified exactMatch —
ecoinvent 3.8 95a9f739-736a-57fe-b592-dfb52251ef1e Dimethyl Hexynediol water / unspecified closeMatch —

Characterisation factors

4

Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.

Method Implementation Category Place Factor Published as
EF 3.1 ecoinvent Centre Ecotoxicity, freshwater — 800.87 —
EF 3.1 ecoinvent Centre Ecotoxicity, freshwater_organics — 800.87 —
EF 3.1 ecoinvent Centre Human toxicity, non-cancer — 1.9604e-08 —
EF 3.1 ecoinvent Centre Human toxicity, non-cancer_organics — 1.9604e-08 —

This flow in the difference report

History

The change log and the PROV-O trail (0 consensus changes)

Open the changes page

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Full record

Flow JSON 
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  "uuid": "361141f71d90163f191e28691cd74c49ea835c64",
  "identifier": "",
  "name": "Dimethyl Hexynediol",
  "source": "ecoinvent algorithm addition",
  "cas_numbers": [
    "142-30-3"
  ],
  "ec_numbers": [
    "205-533-4"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "synonyms": [],
  "lcia_methods": [],
  "unit": "kg",
  "input_datasets": [],
  "prefLabel": [
    {
      "@value": "Dimethyl Hexynediol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-664853ebe99e6026",
  "properties": {
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "Dimethyl Hexynediol": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
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      ],
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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      ],
      "provenance": [
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          "prov:hadPrimarySource": [
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          ]
        },
        {
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      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "SDELNICMGLOBII-UHFFFAOYSA-N"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_authoritative",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "SDELNICMGLOBII-UHFFFAOYSA-N": [
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C8H14O2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_authoritative",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "InChI=1S/C8H14O2/c1-4-7(2)5-6-8(3,9)10/h7,9-10H,4H2,1-3H3"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(C)C#CC(C)(O)O"
          ]
        }
      ],
      "attested_by": {
        "C8H14O2": [
          "rdkit_authoritative",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        142.198
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_authoritative",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(C)C#CC(C)(O)O"
          ]
        }
      ],
      "attested_by": {
        "142.198": [
          "rdkit_authoritative",
          "rdkit_post_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": [
        142.09938
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_authoritative",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "InChI=1S/C8H14O2/c1-4-7(2)5-6-8(3,9)10/h7,9-10H,4H2,1-3H3"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(C)C#CC(C)(O)O"
          ]
        }
      ],
      "attested_by": {
        "142.09938": [
          "rdkit_authoritative",
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=142-30-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "142-30-3"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  ],
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ecoinvent/3.12/flow/95a9f739-736a-57fe-b592-dfb52251ef1e",
        "skos:prefLabel": "Dimethyl Hexynediol",
        "context": "water / unspecified",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/361141f71d90163f191e28691cd74c49ea835c64"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/361141f71d90163f191e28691cd74c49ea835c64"
      },
      "provenance": {
        "prov:wasGeneratedBy": "merge_ecoinvent",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent:3.12:95a9f739-736a-57fe-b592-dfb52251ef1e",
          "Dimethyl Hexynediol",
          ""
        ],
        "prov:wasDerivedFrom": "flow_object_creation:no-flow-object-candidate"
      }
    },
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ecoinvent/3.8/flow/95a9f739-736a-57fe-b592-dfb52251ef1e",
        "skos:prefLabel": "Dimethyl Hexynediol",
        "context": "water / unspecified",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:closeMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/361141f71d90163f191e28691cd74c49ea835c64"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/361141f71d90163f191e28691cd74c49ea835c64"
      },
      "provenance": {
        "prov:wasGeneratedBy": "merge_ecoinvent",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "Dimethyl Hexynediol",
          "",
          "algorithm.lookup_order=cas>ec>label",
          "algorithm.basis=cas:142-30-3",
          "algorithm.flow_object_candidates=1",
          "algorithm.elementary_candidates=1",
          "algorithm.selector_reason=exact-context-iri-match",
          "algorithm.score_rule=exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
        ],
        "prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:142-30-3);flow_object_candidates(1);elementary_candidates(1);selector(exact-context-iri-match);exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
      }
    }
  ],
  "_sources": {},
  "cas_match_labels": {},
  "general_comment": "",
  "_transformed": false,
  "_provided": {
    "name": null,
    "synonyms": [],
    "context": [],
    "cas_numbers": [],
    "ec_numbers": [],
    "unit": null
  },
  "elementary_flow_id": "361141f71d90163f191e28691cd74c49ea835c64",
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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