Consensus flow list

Ethyl 3,5-dichloro-4-hexadecyloxycarbonyloxybenzoate

c079e629-a298-48bc-bb16-8b8cd5a18770

Identity

Substance
fo-a052c5b9b090dd9c NeutralMolecule
Source
EF 3.1
Unit
kg
Context
Environmental → Air → Long-term
CAS
115895-09-5
EC
404-740-9

Context

Dimension
Environmental
Media
Air
Strata
Long-term

Alternative labels

2

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 c079e629-a298-48bc-bb16-8b8cd5a18770 ethyl 3,5-dichloro-4-hexadecyloxycarbonyloxybenzoate The consensus list is built from this one, so this row is the flow itself rather than something matched to it.

Concept associations

1
Source list Source flow Name there Compartment there Match Conversion
EF 3.1 c079e629-a298-48bc-bb16-8b8cd5a18770 ethyl 3,5-dichloro-4-hexadecyloxycarbonyloxybenzoate Emissions/Emissions to air/Emissions to air, unspecified (long-term) exactMatch —

History

The change log and the PROV-O trail (2 consensus changes)

Open the changes page

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Full record

Flow JSON 
{
  "altLabel": [
    {
      "@value": "Benzoic acid, 3,5-dichloro-4-[[(hexadecyloxy)carbonyl]oxy]-, ethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:115895-09-5",
          "https://commonchemistry.cas.org/detail?cas_rn=115895-09-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl 3,5-dichloro-4-[[(hexadecyloxy)carbonyl]oxy]benzoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:115895-09-5",
          "https://commonchemistry.cas.org/detail?cas_rn=115895-09-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C26H40Cl2O5"
      ],
      "attested_by": {
        "C26H40Cl2O5": [
          "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:15131568"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCOC(=O)Oc1c(Cl)cc(C(=O)OCC)cc1Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DFMGMJBWBQNZNK-UHFFFAOYSA-N"
      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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        },
        {
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCOC(=O)Oc1c(Cl)cc(C(=O)OCC)cc1Cl"
          ]
        }
      ]
    },
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      "rdfs:label": "SMILES",
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        "CCCCCCCCCCCCCCCCOC(=O)Oc1c(Cl)cc(C(=O)OCC)cc1Cl"
      ],
      "provenance": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCOC(=O)Oc1c(Cl)cc(C(=O)OCC)cc1Cl"
          ]
        }
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C26H40Cl2O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32-26(30)33-24-22(27)19-21(20-23(24)28)25(29)31-4-2/h19-20H,3-18H2,1-2H3"
      ],
      "provenance": [
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          ]
        },
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          ]
        }
      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Ethyl 3,5-dichloro-4-hexadecyloxycarbonyloxybenzoate"
      ],
      "provenance": {
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        ]
      },
      "attested_by": {
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        ]
      }
    },
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      "rdfs:label": "Molecular mass",
      "@value": [
        503.507
      ],
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          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCOC(=O)Oc1c(Cl)cc(C(=O)OCC)cc1Cl"
          ]
        }
      ],
      "attested_by": {
        "503.507": [
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          "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": [
        502.22528
      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCOC(=O)OC1=C(C=C(C=C1Cl)C(=O)OCC)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCOC(=O)Oc1c(Cl)cc(C(=O)OCC)cc1Cl"
          ]
        }
      ],
      "attested_by": {
        "502.22528": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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  ],
  "prefLabel": [
    {
      "@value": "Ethyl 3,5-dichloro-4-hexadecyloxycarbonyloxybenzoate",
      "@language": "en",
      "source": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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  "@type": [
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  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "c079e629-a298-48bc-bb16-8b8cd5a18770",
  "identifier": "c079e629-a298-48bc-bb16-8b8cd5a18770",
  "source": "EF 3.1",
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  ],
  "ec_numbers": [
    "404-740-9"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Long-term"
  },
  "synonyms": [],
  "lcia_methods": [
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      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 0.0
    },
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      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 0.0
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-lote",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-a052c5b9b090dd9c",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
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        "skos:prefLabel": "ethyl 3,5-dichloro-4-hexadecyloxycarbonyloxybenzoate",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified (long-term)",
        "qudt:hasUnit": {
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        },
        "skos:exactMatch": {
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      "provenance": {
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  "_sources": {
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    "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",
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    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
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  "cas_match_labels": {
    "115895-09-5": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "ethyl 3,5-dichloro-4-hexadecyloxycarbonyloxybenzoate",
    "synonyms": [
      "organic",
      "af-366",
      "ethyl3,5-dichloro-4-hexadecyloxycarbonyloxybenzoate",
      "af-366lm",
      "fc-16",
      "fc16",
      "gd27"
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    "context": [
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      "Emissions to air",
      "Emissions to air, unspecified (long-term)"
    ],
    "cas_numbers": [
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    ],
    "ec_numbers": [
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    "unit": "kg"
  }
}

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