Brightway Flows 1.0
GitHub

Identity

Substance
fo-7c84b2f0a88cbe91 Molecular complex
Source
EF 3.1
Unit
kg
Context
Environmental → Ground → Agricultural
CAS
6334-11-8
EC

Context

Dimension
Environmental
Geography
Agricultural
Media
Ground

Alternative labels

6

Source lists

2
List Version Source flow Name there Why this flow
EF 3.1 08a91e70-3ddc-11dd-9059-0050c2490048 2,4,6-trimethylaniline hydrochloride The consensus list is built from this one, so this row is the flow itself rather than something matched to it.
stepwise 2006-1.09 17f91298-d5ff-525e-9be6-dfa4d1023001 Trimethylaniline hydrochloride, 2,4,6- The CAS numbers are the same (6334-11-8); both name the same compartment.

Concept associations

2
Source list Source flow Name there Compartment there Match Conversion
EF 3.1 08a91e70-3ddc-11dd-9059-0050c2490048 2,4,6-trimethylaniline hydrochloride Emissions/Emissions to soil/Emissions to agricultural soil exactMatch
stepwise 2006-1.09 17f91298-d5ff-525e-9be6-dfa4d1023001 Trimethylaniline Hydrochloride, 2,4,6- Soil / agricultural closeMatch

Characterisation factors

2

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
Stepwise 2006 2.-0 LCA consultants Human toxicity, carcinogens 11.280426
Stepwise 2006 consensus-flow-list Human toxicity, carcinogens 11.280426 sole

This flow in the difference report

History

The change log and the PROV-O trail (2 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.

Full record

Flow JSON
{
  "altLabel": [
    {
      "@value": "(2,4,6-Trimethylphenyl)amine hydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6334-11-8",
          "https://commonchemistry.cas.org/detail?cas_rn=6334-11-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4,6-Trimethylanilinium chloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6334-11-8",
          "https://commonchemistry.cas.org/detail?cas_rn=6334-11-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aniline, 2,4,6-trimethyl-, hydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6334-11-8",
          "https://commonchemistry.cas.org/detail?cas_rn=6334-11-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, 2,4,6-trimethyl-, hydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6334-11-8",
          "https://commonchemistry.cas.org/detail?cas_rn=6334-11-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, 2,4,6-trimethyl-, hydrochloride (1:1)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6334-11-8",
          "https://commonchemistry.cas.org/detail?cas_rn=6334-11-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mesidine hydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6334-11-8",
          "https://commonchemistry.cas.org/detail?cas_rn=6334-11-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H14ClN"
      ],
      "attested_by": {
        "C9H14ClN": [
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
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          "prov:hadPrimarySource": [
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            "CID:5284471"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
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      "@value": [
        "WUYJXWRFOUCHEB-UHFFFAOYSA-N"
      ],
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        ]
      },
      "rdfs:label": "InChIKey",
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        {
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        },
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    },
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      "rdfs:label": "SMILES",
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      ],
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        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          ]
        },
        {
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          ]
        }
      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
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      "@value": [
        "InChI=1S/C9H13N.ClH/c1-6-4-7(2)9(10)8(3)5-6;/h4-5H,10H2,1-3H3;1H"
      ],
      "provenance": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
            "Cc1cc(C)c(N)c(C)c1.Cl"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C9H13N.ClH/c1-6-4-7(2)9(10)8(3)5-6;/h4-5H,10H2,1-3H3;1H": [
          "opsin_iupac",
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2,4,6-trimethylaniline Hydrochloride"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2,4,6-trimethylaniline Hydrochloride"
        ]
      },
      "attested_by": {
        "2,4,6-trimethylaniline Hydrochloride": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        171.671
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=CC(=C(C(=C1)C)N)C.Cl"
          ]
        },
        {
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          ]
        }
      ],
      "attested_by": {
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        ]
      },
      "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": [
        171.081477
      ],
      "provenance": [
        {
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          ]
        },
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          ]
        }
      ],
      "attested_by": {
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        ]
      },
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    }
  },
  "references": [
    {
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      }
    },
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      }
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    },
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    }
  ],
  "prefLabel": [
    {
      "@value": "2,4,6-trimethylaniline Hydrochloride",
      "@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/MolecularComplex"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "08a91e70-3ddc-11dd-9059-0050c2490048",
  "identifier": "08a91e70-3ddc-11dd-9059-0050c2490048",
  "source": "EF 3.1",
  "cas_numbers": [
    "6334-11-8"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "synonyms": [],
  "lcia_methods": [],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-agri",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-7c84b2f0a88cbe91",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
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        "skos:prefLabel": "2,4,6-trimethylaniline hydrochloride",
        "context": "Emissions/Emissions to soil/Emissions to agricultural soil",
        "qudt:hasUnit": {
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        },
        "skos:exactMatch": {
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      },
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        ]
      }
    },
    {
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        },
        "skos:closeMatch": {
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      },
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      },
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        "prov:hadPrimarySource": [
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          "",
          "algorithm.lookup_order=cas>ec>label",
          "algorithm.basis=cas:6334-11-8",
          "algorithm.flow_object_candidates=1",
          "algorithm.elementary_candidates=12",
          "algorithm.selector_reason=exact-context-iri-match",
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        ],
        "prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:6334-11-8);flow_object_candidates(1);elementary_candidates(12);selector(exact-context-iri-match);exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
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  ],
  "_sources": {
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    "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",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "6334-11-8": "exactMatch"
  },
  "general_comment": "Correct mapping CAS and flow to be verified: yet unclear whether this is the sodium-, hydrochloride-, calcium-, potassium- or other salt or the pure substance that is emitted. 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).",
  "_transformed": true,
  "_provided": {
    "name": "2,4,6-trimethylaniline hydrochloride",
    "synonyms": [
      "1-Amino-2,4,6-trimethylbenzen",
      "2,4,6-TRIMETHYLANILINE",
      "2,4,6-Trimethylbenzenamine",
      "2-Amino-1,3,5-trimethylbenzene",
      "2-Aminomesitylene",
      "AC1L1NKS",
      "AC1Q2HZV",
      "AC1Q2QL3",
      "AKOS000119132",
      "Aminomesitylene",
      "Aniline, 2,4,6-trimethyl-",
      "Benzenamine, 2,4,6-trimethyl-",
      "Mesidin",
      "Mesidine",
      "Mesitylamine",
      "Mesitylene, 2-amino-",
      "SBB040446",
      "T0467",
      "nchem.657-comp13"
    ],
    "context": [
      "Emissions",
      "Emissions to soil",
      "Emissions to agricultural soil"
    ],
    "cas_numbers": [
      "6334-11-8"
    ],
    "ec_numbers": [],
    "unit": "kg"
  }
}

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A flow can be wrong in three ways, and they are decided differently. Pick the one that matches what you are looking at.

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