← Back to consensus flows

Reaction Mass Of 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-5-yl Butyrate And 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-6-yl Butyrate

UUID 38da3dea-461c-4593-a820-71e73e07c0a4
Flow Object IDfo-563c28c30a37ffc3
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 113889-23-9
EC Numbers 441-420-8
prefLabel
Language Value Provenance
en Reaction Mass Of 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-5-yl Butyrate And 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-6-yl Butyrate
altLabel ⓘ
Language Value Provenance
en Butanoic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1<em>H</em>-indenyl ester
en Cyclobutanate
en Tricyclodecenyl butyrate
References
Shared Properties
Predicate Value
InChIKey HVEOFLOFUBUHEQ-UHFFFAOYSA-N, KLEHDRXJJZQKPQ-UHFFFAOYSA-N
InChI InChI=1S/C14H20O2/c1-2-3-13(15)16-12-7-6-11-9-4-5-10(8-9)14(11)12/h6-7,9-12,14H,2-5,8H2,1H3, InChI=1S/C14H20O2/c1-2-4-14(15)16-13-8-9-7-12(13)11-6-3-5-10(9)11/h3,5,9-13H,2,4,6-8H2,1H3
IUPAC name 3-tricyclo[5.2.1.02,6]dec-4-enyl butanoate, 8-tricyclo[5.2.1.02,6]dec-3-enyl butanoate, butanoic acid 3-tricyclo[5.2.1.02,6]dec-4-enyl ester, butanoic acid 8-tricyclo[5.2.1.02,6]dec-3-enyl ester, butyric acid 3-tricyclo[5.2.1.02,6]dec-4-enyl ester, butyric acid 8-tricyclo[5.2.1.02,6]dec-3-enyl ester
Molecular formula C14H20O2
SMILES CCCC(=O)OC1C=CC2C1C3CCC2C3, CCCC(=O)OC1CC2CC1C3C2C=CC3

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 38da3dea-461c-4593-a820-71e73e07c0a4 reaction mass of 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-5-yl butyrate and 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-6-yl butyrate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 reaction mass of 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-5-yl butyrate and 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-6-yl butyrate Emissions/Emissions to soil/Emissions to non-agricultural soil kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=reactionmassof3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-5-ylbutyrateand3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-6-ylbutyrate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=113889-23-9; added Common Chemistry CAS names as altLabel: Butanoic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1<em>H</em>-indenyl ester, Cyclobutanate, Tricyclodecenyl butyrate; object_uuid=fo-563c28c30a37ffc3
cas_match_labels 1 — consensus_match group_key=reactionmassof3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-5-ylbutyrateand3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-6-ylbutyrate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=[]; cas_sources={'113889-23-9': []}; assigned CAS labels from group consensus; object_uuid=fo-563c28c30a37ffc3: {'113889-23-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Butanoic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1<em>H</em>-indenyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:113889-23-9', 'https://commonchemistry.cas.org/detail?cas_rn=113889-23-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclobutanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:113889-23-9', 'https://commonchemistry.cas.org/detail?cas_rn=113889-23-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tricyclodecenyl butyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:113889-23-9', 'https://commonchemistry.cas.org/detail?cas_rn=113889-23-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=reactionmassof3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-5-ylbutyrateand3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-6-ylbutyrate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=113889-23-9; added Common Chemistry CAS names as altLabel: Butanoic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1<em>H</em>-indenyl ester, Cyclobutanate, Tricyclodecenyl butyrate; object_uuid=fo-563c28c30a37ffc3
cas_match_labels None {'113889-23-9': 'exactMatch'} group_key=reactionmassof3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-5-ylbutyrateand3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-6-ylbutyrate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=[]; cas_sources={'113889-23-9': []}; assigned CAS labels from group consensus; object_uuid=fo-563c28c30a37ffc3: {'113889-23-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "38da3dea-461c-4593-a820-71e73e07c0a4",
  "name": null,
  "cas_numbers": [
    "113889-23-9"
  ],
  "ec_numbers": [
    "441-420-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "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": 445.09
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "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": 2.4184e-9
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 2.4184e-9
    },
    {
      "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": 445.09
    }
  ],
  "source": "EF 3.1",
  "identifier": "38da3dea-461c-4593-a820-71e73e07c0a4",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "38da3dea-461c-4593-a820-71e73e07c0a4",
      "source_flow_name": "reaction mass of 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-5-yl butyrate and 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-6-yl butyrate",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to soil",
          "Emissions to non-agricultural soil"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Reaction Mass Of 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-5-yl Butyrate And 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-6-yl Butyrate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_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": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H20O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:86580",
          "CID:44153588"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "HVEOFLOFUBUHEQ-UHFFFAOYSA-N",
        "KLEHDRXJJZQKPQ-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:86580",
          "CID:44153588"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCC(=O)OC1C=CC2C1C3CCC2C3",
        "CCCC(=O)OC1CC2CC1C3C2C=CC3"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:86580",
          "CID:44153588"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C14H20O2/c1-2-3-13(15)16-12-7-6-11-9-4-5-10(8-9)14(11)12/h6-7,9-12,14H,2-5,8H2,1H3",
        "InChI=1S/C14H20O2/c1-2-4-14(15)16-13-8-9-7-12(13)11-6-3-5-10(9)11/h3,5,9-13H,2,4,6-8H2,1H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:86580",
          "CID:44153588"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "3-tricyclo[5.2.1.02,6]dec-4-enyl butanoate",
        "8-tricyclo[5.2.1.02,6]dec-3-enyl butanoate",
        "butanoic acid 3-tricyclo[5.2.1.02,6]dec-4-enyl ester",
        "butanoic acid 8-tricyclo[5.2.1.02,6]dec-3-enyl ester",
        "butyric acid 3-tricyclo[5.2.1.02,6]dec-4-enyl ester",
        "butyric acid 8-tricyclo[5.2.1.02,6]dec-3-enyl ester"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:86580",
          "CID:44153588"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J287.069J",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:86580;CAS:113889-23-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[113889-23-9]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.781.770H",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:44153588;CAS:113889-23-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[113889-23-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.037.726",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:86580;CAS:113889-23-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[113889-23-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.166.722",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:44153588;CAS:113889-23-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[113889-23-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=113889-23-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "113889-23-9"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=17511-61-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:86580;CAS:113889-23-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[113889-23-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/44153588",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:44153588;CAS:113889-23-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[113889-23-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/86580",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:86580;CAS:113889-23-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[113889-23-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126616061",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:86580;CAS:113889-23-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[113889-23-9]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Butanoic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1<em>H</em>-indenyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:113889-23-9",
          "https://commonchemistry.cas.org/detail?cas_rn=113889-23-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclobutanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:113889-23-9",
          "https://commonchemistry.cas.org/detail?cas_rn=113889-23-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tricyclodecenyl butyrate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:113889-23-9",
          "https://commonchemistry.cas.org/detail?cas_rn=113889-23-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "113889-23-9": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/38da3dea-461c-4593-a820-71e73e07c0a4",
        "skos:prefLabel": "reaction mass of 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-5-yl butyrate and 3a, 4, 5, 6, 7, 7a-hexahydro-1h-4, 7-methanoinden-6-yl butyrate",
        "context": "Emissions/Emissions to soil/Emissions to non-agricultural soil",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/38da3dea-461c-4593-a820-71e73e07c0a4"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-563c28c30a37ffc3"
}