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Propanoic Acid, 2-hydroxy-, Octyl Ester

9fb209a8-83bc-458a-bd5d-16f7795773a7

Identity

Substance
fo-6efb6b3abe68bcfd Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Ground → Agricultural
CAS
5464-71-1
EC
—

Context

Dimension
Environmental
Geography
Agricultural
Media
Ground

Alternative labels

3

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 9fb209a8-83bc-458a-bd5d-16f7795773a7 propanoic acid, 2-hydroxy-, octyl ester 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 9fb209a8-83bc-458a-bd5d-16f7795773a7 propanoic acid, 2-hydroxy-, octyl ester Emissions/Emissions to soil/Emissions to agricultural soil exactMatch —

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 European Commission — JRC Ecotoxicity, freshwater — 35.756 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater — 35.756 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics — 35.756 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics — 35.756 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": "Lactic acid, octyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5464-71-1",
          "https://commonchemistry.cas.org/detail?cas_rn=5464-71-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Octyl (±)-lactate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5464-71-1",
          "https://commonchemistry.cas.org/detail?cas_rn=5464-71-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Octyl lactate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5464-71-1",
          "https://commonchemistry.cas.org/detail?cas_rn=5464-71-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H22O3"
      ],
      "attested_by": {
        "C11H22O3": [
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCOC(=O)C(C)O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "SFBIZPBTKROSDE-UHFFFAOYSA-N"
      ],
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      "rdfs:label": "InChIKey",
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        },
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          "prov:hadPrimarySource": [
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        }
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    },
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      "@value": [
        "CCCCCCCCOC(=O)C(C)O"
      ],
      "provenance": [
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          ]
        },
        {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C11H22O3/c1-3-4-5-6-7-8-9-14-11(13)10(2)12/h10,12H,3-9H2,1-2H3"
      ],
      "provenance": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
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          ]
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      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      ],
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        ]
      },
      "attested_by": {
        "Propanoic Acid, 2-hydroxy-, Octyl Ester": [
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          "prov:hadPrimarySource": [
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        },
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          "prov:hadPrimarySource": [
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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": [
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      ],
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCOC(=O)C(C)O"
          ]
        }
      ],
      "attested_by": {
        "202.156895": [
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          "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=J1.586.942I",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5464-71-1]"
      }
    },
    {
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5464-71-1]"
      }
    },
    {
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      "provenance": {
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      }
    },
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    },
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    },
    {
      "@id": "https://www.wikidata.org/wiki/Q81986172",
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        "prov:wasDerivedFrom": "pubchem.identifiers[5464-71-1]"
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  ],
  "prefLabel": [
    {
      "@value": "Propanoic Acid, 2-hydroxy-, Octyl Ester",
      "@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": "9fb209a8-83bc-458a-bd5d-16f7795773a7",
  "identifier": "9fb209a8-83bc-458a-bd5d-16f7795773a7",
  "source": "EF 3.1",
  "cas_numbers": [
    "5464-71-1"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "synonyms": [],
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 35.756
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 35.756
    }
  ],
  "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-6efb6b3abe68bcfd",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
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        "skos:prefLabel": "propanoic acid, 2-hydroxy-, octyl ester",
        "context": "Emissions/Emissions to soil/Emissions to agricultural soil",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/9fb209a8-83bc-458a-bd5d-16f7795773a7"
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      "xkos:targetConcept": {
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      },
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "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",
    "altLabel": "strip_catalogue_altlabels",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "5464-71-1": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "propanoic acid, 2-hydroxy-, octyl ester",
    "synonyms": [
      "AC1L3UGI",
      "AC1Q6779",
      "Propanoic acid, 2-hydroxy-, octyl ester, (S)-",
      "octyl 2-hydroxypropanoate",
      "octyl lactate"
    ],
    "context": [
      "Emissions",
      "Emissions to soil",
      "Emissions to agricultural soil"
    ],
    "cas_numbers": [
      "5464-71-1"
    ],
    "ec_numbers": [],
    "unit": "kg"
  }
}

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