(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one

← Back to consensus flows

(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one

UUID 2338a07c-fed7-4853-a08d-69b8ce3cc9d0

Flow Object ID fo-ff5613ca80973233

Source EF 3.1

Context Environmental → Air → Aircraft cruise height

CAS Numbers 87305-03-1

EC Numbers 619-738-5

prefLabel

Language	Value	Provenance
`en`	`(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one`

altLabel ⓘ

Language	Value	Provenance
`en`	`(1<em>R</em>,4<em>R</em>,5<em>S</em>)-6,6-Dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one`
`en`	`3-Oxabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-4-(tribromomethyl)-, (1<em>R</em>,4<em>R</em>,5<em>S</em>)-`
`en`	`3-Oxabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-4-(tribromomethyl)-, [1<em>R</em>-(1α,4α,5α)]-`

References

Shared Properties

Predicate	Value
InChIKey	`ASKVAQUVJBPTBK-MROZADKFSA-N`
InChI	`InChI=1S/C8H9Br3O2/c1-7(2)3-4(7)6(12)13-5(3)8(9,10)11/h3-5H,1-2H3/t3-,4+,5-/m1/s1`
IUPAC name	`(1R,4R,5S)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one, (1R,4R,5S)-6,6-dimethyl-4-[tris(bromanyl)methyl]-3-oxabicyclo[3.1.0]hexan-2-one`
Molecular formula	`C8H9Br3O2`
SMILES	`CC1(C2C1C(=O)OC2C(Br)(Br)Br)C, CC1([C@@H]2[C@H]1C(=O)O[C@H]2C(Br)(Br)Br)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`2338a07c-fed7-4853-a08d-69b8ce3cc9d0`	(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one	Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere	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=(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=87305-03-1; added Common Chemistry CAS names as altLabel: (1<em>R</em>,4<em>R</em>,5<em>S</em>)-6,6-Dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one, 3-Oxabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-4-(tribromomethyl)-, (1<em>R</em>,4<em>R</em>,5<em>S</em>)-, 3-Oxabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-4-(tribromomethyl)-, [1<em>R</em>-(1α,4α,5α)]-; object_uuid=fo-ff5613ca80973233
`cas_match_labels`	1	`—`	consensus_match	group_key=(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'87305-03-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff5613ca80973233: {'87305-03-1': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Aircraft cruise height

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '(1<em>R</em>,4<em>R</em>,5<em>S</em>)-6,6-Dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:87305-03-1', 'https://commonchemistry.cas.org/detail?cas_rn=87305-03-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Oxabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-4-(tribromomethyl)-, (1<em>R</em>,4<em>R</em>,5<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:87305-03-1', 'https://commonchemistry.cas.org/detail?cas_rn=87305-03-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Oxabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-4-(tribromomethyl)-, [1<em>R</em>-(1α,4α,5α)]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:87305-03-1', 'https://commonchemistry.cas.org/detail?cas_rn=87305-03-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=87305-03-1; added Common Chemistry CAS names as altLabel: (1<em>R</em>,4<em>R</em>,5<em>S</em>)-6,6-Dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one, 3-Oxabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-4-(tribromomethyl)-, (1<em>R</em>,4<em>R</em>,5<em>S</em>)-, 3-Oxabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-4-(tribromomethyl)-, [1<em>R</em>-(1α,4α,5α)]-; object_uuid=fo-ff5613ca80973233
`cas_match_labels`	`None`	`{'87305-03-1': 'exactMatch'}`	group_key=(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'87305-03-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff5613ca80973233: {'87305-03-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "2338a07c-fed7-4853-a08d-69b8ce3cc9d0",
  "name": null,
  "cas_numbers": [
    "87305-03-1"
  ],
  "ec_numbers": [
    "619-738-5"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Aircraft cruise height"
  },
  "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": 1444.2
    },
    {
      "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": 5.2821e-6
    },
    {
      "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": 5.2821e-6
    },
    {
      "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": 1444.2
    }
  ],
  "source": "EF 3.1",
  "identifier": "2338a07c-fed7-4853-a08d-69b8ce3cc9d0",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "2338a07c-fed7-4853-a08d-69b8ce3cc9d0",
      "source_flow_name": "(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one",
      "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 air",
          "Emissions to lower stratosphere and upper troposphere"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "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-air-aicrhe",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C8H9Br3O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12525226"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ASKVAQUVJBPTBK-MROZADKFSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12525226"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1(C2C1C(=O)OC2C(Br)(Br)Br)C",
        "CC1([C@@H]2[C@H]1C(=O)O[C@H]2C(Br)(Br)Br)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12525226"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C8H9Br3O2/c1-7(2)3-4(7)6(12)13-5(3)8(9,10)11/h3-5H,1-2H3/t3-,4+,5-/m1/s1"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12525226"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(1R,4R,5S)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one",
        "(1R,4R,5S)-6,6-dimethyl-4-[tris(bromanyl)methyl]-3-oxabicyclo[3.1.0]hexan-2-one"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12525226"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.121.433",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12525226;CAS:87305-03-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[87305-03-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=87305-03-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12525226;CAS:87305-03-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[87305-03-1]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID00893858",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12525226;CAS:87305-03-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[87305-03-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/12525226",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12525226;CAS:87305-03-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[87305-03-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q81987789",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12525226;CAS:87305-03-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[87305-03-1]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(1<em>R</em>,4<em>R</em>,5<em>S</em>)-6,6-Dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:87305-03-1",
          "https://commonchemistry.cas.org/detail?cas_rn=87305-03-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Oxabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-4-(tribromomethyl)-, (1<em>R</em>,4<em>R</em>,5<em>S</em>)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:87305-03-1",
          "https://commonchemistry.cas.org/detail?cas_rn=87305-03-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Oxabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-4-(tribromomethyl)-, [1<em>R</em>-(1α,4α,5α)]-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:87305-03-1",
          "https://commonchemistry.cas.org/detail?cas_rn=87305-03-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "87305-03-1": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/2338a07c-fed7-4853-a08d-69b8ce3cc9d0",
        "skos:prefLabel": "(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one",
        "context": "Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/2338a07c-fed7-4853-a08d-69b8ce3cc9d0"
      },
      "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-ff5613ca80973233"
}