Brightway Flows 1.0
GitHub

Identity

Substance
fo-7c175afaf500f0ed Neutral molecule
Source
stepwise algorithm addition
Unit
kg
Context
Environmental → Water → Unconfined aquifer
CAS
84-72-0
EC
201-555-3

Context

Dimension
Environmental
Media
Water
Water body
Unconfined aquifer

Alternative labels

13

Source lists

1
List Version Source flow Name there Why this flow
stepwise 2006-1.09 24ae865b-3379-523b-9d0e-4843a2c966f5 Ethylphthalyl ethyl glycolate The CAS numbers are the same (84-72-0); no flow of this substance sat in that compartment, so this one was created for the row.

Concept associations

1
Source list Source flow Name there Compartment there Match Conversion
stepwise 2006-1.09 24ae865b-3379-523b-9d0e-4843a2c966f5 Ethylphthalyl Ethyl Glycolate Water / groundwater exactMatch

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, non-carc. 8.6400e-09
Stepwise 2006 consensus-flow-list Human toxicity, non-carc. 8.6400e-09 sole

This flow in the difference report

History

The change log and the PROV-O trail (0 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": "1,2-Benzenedicarboxylic acid, 1-(2-ethoxy-2-oxoethyl) 2-ethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-72-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-72-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Benzenedicarboxylic acid, 2-ethoxy-2-oxoethyl ethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-72-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-72-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-O-(2-Ethoxy-2-oxoethyl) 1-O-ethyl benzene-1,2-dicarboxylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-72-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-72-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbethoxymethyl ethyl phthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-72-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-72-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethyl o-carboxybenzoyloxyacetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-72-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-72-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethoxycarbonylmethylethyl Phthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original EF name retained as altLabel"
      }
    },
    {
      "@value": "Ethyl 2-ethoxy-2-oxoethyl phthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-72-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-72-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl carbethoxymethyl phthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-72-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-72-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl ethoxycarbonylmethyl phthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-72-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-72-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl phthalyl ethyl glycolate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-72-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-72-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycolic acid, ethyl ester, ethyl phthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-72-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-72-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phthalic acid, ethyl ester, ester with ethyl glycolate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-72-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-72-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Santicizer E-15",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-72-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-72-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H16O6"
      ],
      "attested_by": {
        "C14H16O6": [
          "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:6785"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(=O)COC(=O)c1ccccc1C(=O)OCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "PZBLUWVMZMXIKZ-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "PZBLUWVMZMXIKZ-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:6785"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(=O)COC(=O)c1ccccc1C(=O)OCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCOC(=O)COC(=O)c1ccccc1C(=O)OCC"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Ethoxycarbonylmethyl ethyl phthalate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(=O)COC(=O)c1ccccc1C(=O)OCC"
          ]
        }
      ],
      "attested_by": {
        "CCOC(=O)COC(=O)c1ccccc1C(=O)OCC": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C14H16O6/c1-3-18-12(15)9-20-14(17)11-8-6-5-7-10(11)13(16)19-4-2/h5-8H,3-4,9H2,1-2H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Ethoxycarbonylmethyl ethyl phthalate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(=O)COC(=O)c1ccccc1C(=O)OCC"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C14H16O6/c1-3-18-12(15)9-20-14(17)11-8-6-5-7-10(11)13(16)19-4-2/h5-8H,3-4,9H2,1-2H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Ethoxycarbonylmethyl ethyl phthalate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Ethoxycarbonylmethyl ethyl phthalate"
        ]
      },
      "attested_by": {
        "Ethoxycarbonylmethyl ethyl phthalate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        280.276
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(=O)COC(=O)c1ccccc1C(=O)OCC"
          ]
        }
      ],
      "attested_by": {
        "280.276": [
          "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": [
        280.094688
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(=O)COC(=O)c1ccccc1C(=O)OCC"
          ]
        }
      ],
      "attested_by": {
        "280.094688": [
          "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=J46.810J",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6785;CAS:84-72-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84-72-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.001.414",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6785;CAS:84-72-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84-72-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=84-72-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6785;CAS:84-72-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84-72-0]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID3024100",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6785;CAS:84-72-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84-72-0]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/C591YI5BTG",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6785;CAS:84-72-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84-72-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6785",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6785;CAS:84-72-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[84-72-0]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187049",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6785;CAS:84-72-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84-72-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27275211",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6785;CAS:84-72-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84-72-0]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Ethoxycarbonylmethyl ethyl phthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-72-0",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "multi-source name consensus"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "fbff5ff2014b883fcd8a667e39eea27911c58667",
  "identifier": "",
  "name": "Ethoxycarbonylmethyl ethyl phthalate",
  "source": "stepwise algorithm addition",
  "cas_numbers": [
    "84-72-0"
  ],
  "ec_numbers": [
    "201-555-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unconfined aquifer"
  },
  "synonyms": [],
  "lcia_methods": [],
  "unit": "kg",
  "input_datasets": [],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unaq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-7c175afaf500f0ed",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/stepwise/2006-1.09/flow/24ae865b-3379-523b-9d0e-4843a2c966f5",
        "skos:prefLabel": "Ethylphthalyl Ethyl Glycolate",
        "context": "Water / groundwater",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/fbff5ff2014b883fcd8a667e39eea27911c58667"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/fbff5ff2014b883fcd8a667e39eea27911c58667"
      },
      "provenance": {
        "prov:wasGeneratedBy": "merge_stepwise",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "stepwise:2006-1.09:24ae865b-3379-523b-9d0e-4843a2c966f5",
          "Ethylphthalyl Ethyl Glycolate",
          "",
          "algorithm.lookup_order=cas>ec>label",
          "algorithm.basis=cas:84-72-0",
          "algorithm.flow_object_candidates=1",
          "algorithm.elementary_candidates=12",
          "algorithm.selector_reason=new-elementary-flow-created",
          "algorithm.score_rule=exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto",
          "algorithm.winning_score=3",
          "algorithm.tie_on_top_score=true"
        ],
        "prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:84-72-0);flow_object_candidates(1);elementary_candidates(12);selector(new-elementary-flow-created);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": "fbff5ff2014b883fcd8a667e39eea27911c58667"
}

Something wrong here?

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

You do not need to run a build or clone anything. Name the row and say what your evidence is; the measurement is done for you. How contributing works

Keyboard

?
Show or hide this map
/
Focus search
Esc
Close