2,2-dimethylpropan-1-ol, Tribromo Derivative

← Back to consensus flows

2,2-dimethylpropan-1-ol, Tribromo Derivative

UUID fe28dd94-01ad-4e62-9aaf-d6cdc6dec32b

Flow Object ID fo-49afdaaa45bad978

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

CAS Numbers 36483-57-5

EC Numbers 253-057-0

prefLabel

Language	Value	Provenance
`en`	`2,2-dimethylpropan-1-ol, Tribromo Derivative`

altLabel ⓘ

Language	Value	Provenance
`en`	`1-Propanol, 2,2-dimethyl-, tribromo deriv.`
`en`	`Tribromoneopentyl alcohol`

References

Shared Properties

Predicate	Value
InChIKey	`HFRIZVDRQKQDRM-UHFFFAOYSA-N, HQWKMYFWGMCJSW-UHFFFAOYSA-N, QEJPOEGPNIVDMK-UHFFFAOYSA-N`
InChI	`InChI=1S/C5H9Br3O/c1-4(2,3-6)5(7,8)9/h9H,3H2,1-2H3, InChI=1S/C5H9Br3O/c1-4(2,3-9)5(6,7)8/h9H,3H2,1-2H3, InChI=1S/C5H9Br3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2`
IUPAC name	`1,1,3-tribromo-2,2-dimethyl-1-propanol, 1,1,3-tribromo-2,2-dimethyl-propan-1-ol, 1,1,3-tribromo-2,2-dimethylpropan-1-ol, 1,1,3-tris(bromanyl)-2,2-dimethyl-propan-1-ol, 3,3,3-tribromo-2,2-dimethyl-1-propanol, 3,3,3-tribromo-2,2-dimethyl-propan-1-ol, 3,3,3-tribromo-2,2-dimethylpropan-1-ol, 3,3,3-tris(bromanyl)-2,2-dimethyl-propan-1-ol, 3-bromanyl-2,2-bis(bromomethyl)propan-1-ol, 3-bromo-2,2-bis(bromomethyl)-1-propanol, 3-bromo-2,2-bis(bromomethyl)propan-1-ol`
Molecular formula	`C5H9Br3O`
SMILES	`C(C(CBr)(CBr)CBr)O, CC(C)(CBr)C(O)(Br)Br, CC(C)(CO)C(Br)(Br)Br`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`fe28dd94-01ad-4e62-9aaf-d6cdc6dec32b`	2,2-dimethylpropan-1-ol, tribromo derivative

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2,2-dimethylpropan-1-ol, tribromo derivative	Emissions/Emissions to air/Emissions to air, unspecified (long-term)	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=2,2-dimethylpropan-1-ol,tribromoderivative\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=36483-57-5; added Common Chemistry CAS names as altLabel: 1-Propanol, 2,2-dimethyl-, tribromo deriv., Tribromoneopentyl alcohol; object_uuid=fo-49afdaaa45bad978
`cas_match_labels`	1	`—`	consensus_match	group_key=2,2-dimethylpropan-1-ol,tribromoderivative\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'36483-57-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-49afdaaa45bad978: {'36483-57-5': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Rural (<1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1-Propanol, 2,2-dimethyl-, tribromo deriv.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:36483-57-5', 'https://commonchemistry.cas.org/detail?cas_rn=36483-57-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tribromoneopentyl alcohol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:36483-57-5', 'https://commonchemistry.cas.org/detail?cas_rn=36483-57-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2,2-dimethylpropan-1-ol,tribromoderivative\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=36483-57-5; added Common Chemistry CAS names as altLabel: 1-Propanol, 2,2-dimethyl-, tribromo deriv., Tribromoneopentyl alcohol; object_uuid=fo-49afdaaa45bad978
`cas_match_labels`	`None`	`{'36483-57-5': 'exactMatch'}`	group_key=2,2-dimethylpropan-1-ol,tribromoderivative\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'36483-57-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-49afdaaa45bad978: {'36483-57-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "fe28dd94-01ad-4e62-9aaf-d6cdc6dec32b",
  "name": null,
  "cas_numbers": [
    "36483-57-5"
  ],
  "ec_numbers": [
    "253-057-0"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Rural (<1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "fe28dd94-01ad-4e62-9aaf-d6cdc6dec32b",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "fe28dd94-01ad-4e62-9aaf-d6cdc6dec32b",
      "source_flow_name": "2,2-dimethylpropan-1-ol, tribromo derivative",
      "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 air, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "2,2-dimethylpropan-1-ol, Tribromo Derivative",
      "@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-air-grle-ru10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C5H9Br3O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15206",
          "CID:21966273",
          "CID:57488653"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "HFRIZVDRQKQDRM-UHFFFAOYSA-N",
        "HQWKMYFWGMCJSW-UHFFFAOYSA-N",
        "QEJPOEGPNIVDMK-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15206",
          "CID:21966273",
          "CID:57488653"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C(C(CBr)(CBr)CBr)O",
        "CC(C)(CBr)C(O)(Br)Br",
        "CC(C)(CO)C(Br)(Br)Br"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15206",
          "CID:21966273",
          "CID:57488653"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C5H9Br3O/c1-4(2,3-6)5(7,8)9/h9H,3H2,1-2H3",
        "InChI=1S/C5H9Br3O/c1-4(2,3-9)5(6,7)8/h9H,3H2,1-2H3",
        "InChI=1S/C5H9Br3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15206",
          "CID:21966273",
          "CID:57488653"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1,1,3-tribromo-2,2-dimethyl-1-propanol",
        "1,1,3-tribromo-2,2-dimethyl-propan-1-ol",
        "1,1,3-tribromo-2,2-dimethylpropan-1-ol",
        "1,1,3-tris(bromanyl)-2,2-dimethyl-propan-1-ol",
        "3,3,3-tribromo-2,2-dimethyl-1-propanol",
        "3,3,3-tribromo-2,2-dimethyl-propan-1-ol",
        "3,3,3-tribromo-2,2-dimethylpropan-1-ol",
        "3,3,3-tris(bromanyl)-2,2-dimethyl-propan-1-ol",
        "3-bromanyl-2,2-bis(bromomethyl)propan-1-ol",
        "3-bromo-2,2-bis(bromomethyl)-1-propanol",
        "3-bromo-2,2-bis(bromomethyl)propan-1-ol"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15206",
          "CID:21966273",
          "CID:57488653"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J111.581B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15206;CAS:36483-57-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36483-57-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.151.139",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15206;CAS:36483-57-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36483-57-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.288.559",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21966273;CAS:36483-57-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36483-57-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=36483-57-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15206;CAS:36483-57-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36483-57-5]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9024641",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15206;CAS:36483-57-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36483-57-5]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=20521",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15206;CAS:36483-57-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36483-57-5]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8HZ2FQ3KUC",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15206;CAS:36483-57-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36483-57-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/15206",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15206;CAS:36483-57-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[36483-57-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/21966273",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21966273;CAS:36483-57-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[36483-57-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/57488653",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:57488653;CAS:36483-57-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[36483-57-5]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1497987",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15206;CAS:36483-57-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36483-57-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126682488",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:57488653;CAS:36483-57-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36483-57-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72452018",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15206;CAS:36483-57-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36483-57-5]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Propanol, 2,2-dimethyl-, tribromo deriv.",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:36483-57-5",
          "https://commonchemistry.cas.org/detail?cas_rn=36483-57-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tribromoneopentyl alcohol",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:36483-57-5",
          "https://commonchemistry.cas.org/detail?cas_rn=36483-57-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "36483-57-5": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/fe28dd94-01ad-4e62-9aaf-d6cdc6dec32b",
        "skos:prefLabel": "2,2-dimethylpropan-1-ol, tribromo derivative",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified (long-term)",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/fe28dd94-01ad-4e62-9aaf-d6cdc6dec32b"
      },
      "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-49afdaaa45bad978"
}