← Back to consensus flows

2,4-dimethylpentane

UUID f214871d-6555-11dd-ad8b-0800200c9a66
Flow Object IDfo-7d01f0c6fc270ab7
Source EF 3.1
Context Environmental → Air → Aircraft cruise height
CAS Numbers 108-08-7
EC Numbers 203-548-0
prefLabel
Language Value Provenance
en 2,4-dimethylpentane
altLabel
Language Value Provenance
en NSC 61989
en Pentane, 2,4-dimethyl-
References
Shared Properties
Predicate Value
InChIKey BZHMBWZPUJHVEE-UHFFFAOYSA-N, HLQMPESPBXMWOE-UHFFFAOYSA-N
InChI InChI=1S/C13H11F3N2O2S/c14-13(15,16)9-2-1-3-11(8-9)18-21(19,20)12-6-4-10(17)5-7-12/h1-8,18H,17H2, InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3
IUPAC name 2,4-dimethylpentane, 4-amino-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide, 4-azanyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
Molecular formula C13H11F3N2O2S, C7H16
SMILES C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)C(F)(F)F, CC(C)CC(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 f214871d-6555-11dd-ad8b-0800200c9a66 2,4-dimethylpentane

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2,4-dimethylpentane 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=2,4-dimethylpentane||dimension=Environmental > media=Ground > geography=Agricultural; cas=108-08-7; added Common Chemistry CAS names as altLabel: NSC 61989, Pentane, 2,4-dimethyl-; object_uuid=fo-7d01f0c6fc270ab7
cas_match_labels 1 consensus_match group_key=2,4-dimethylpentane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-08-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7d01f0c6fc270ab7: {'108-08-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataAircraft cruise height

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'NSC 61989', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-08-7', 'https://commonchemistry.cas.org/detail?cas_rn=108-08-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pentane, 2,4-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-08-7', 'https://commonchemistry.cas.org/detail?cas_rn=108-08-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,4-dimethylpentane||dimension=Environmental > media=Ground > geography=Agricultural; cas=108-08-7; added Common Chemistry CAS names as altLabel: NSC 61989, Pentane, 2,4-dimethyl-; object_uuid=fo-7d01f0c6fc270ab7
cas_match_labels None {'108-08-7': 'exactMatch'} group_key=2,4-dimethylpentane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-08-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7d01f0c6fc270ab7: {'108-08-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "f214871d-6555-11dd-ad8b-0800200c9a66",
  "name": null,
  "cas_numbers": [
    "108-08-7"
  ],
  "ec_numbers": [
    "203-548-0"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Aircraft cruise height"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "f214871d-6555-11dd-ad8b-0800200c9a66",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "f214871d-6555-11dd-ad8b-0800200c9a66",
      "source_flow_name": "2,4-dimethylpentane",
      "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": "2,4-dimethylpentane",
      "@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",
    "ec_numbers": "ec_cross_check",
    "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": [
        "C13H11F3N2O2S",
        "C7H16"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7907",
          "CID:232765"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BZHMBWZPUJHVEE-UHFFFAOYSA-N",
        "HLQMPESPBXMWOE-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7907",
          "CID:232765"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)C(F)(F)F",
        "CC(C)CC(C)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7907",
          "CID:232765"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C13H11F3N2O2S/c14-13(15,16)9-2-1-3-11(8-9)18-21(19,20)12-6-4-10(17)5-7-12/h1-8,18H,17H2",
        "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7907",
          "CID:232765"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2,4-dimethylpentane",
        "4-amino-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide",
        "4-azanyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7907",
          "CID:232765"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.409D",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7907;CAS:108-08-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[108-08-7]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.003.226",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7907;CAS:108-08-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[108-08-7]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.306.208",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:232765;CAS:108-08-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[108-08-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=108-08-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7907;CAS:108-08-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[108-08-7]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID2059358",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7907;CAS:108-08-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[108-08-7]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID40955489",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:232765;CAS:108-08-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[108-08-7]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=30666",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:232765;CAS:108-08-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[108-08-7]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=61989",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7907;CAS:108-08-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[108-08-7]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/2,4-Dimethylpentane",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7907;CAS:108-08-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[108-08-7]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4JT8Q9QOHI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7907;CAS:108-08-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[108-08-7]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0245455",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7907;CAS:108-08-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[108-08-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/232765",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:232765;CAS:108-08-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[108-08-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/7907",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7907;CAS:108-08-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[108-08-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=007440",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:232765;CAS:108-08-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[108-08-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q2813787",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7907;CAS:108-08-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[108-08-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82935120",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:232765;CAS:108-08-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[108-08-7]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "NSC 61989",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:108-08-7",
          "https://commonchemistry.cas.org/detail?cas_rn=108-08-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pentane, 2,4-dimethyl-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:108-08-7",
          "https://commonchemistry.cas.org/detail?cas_rn=108-08-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "108-08-7": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/f214871d-6555-11dd-ad8b-0800200c9a66",
        "skos:prefLabel": "2,4-dimethylpentane",
        "context": "Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/f214871d-6555-11dd-ad8b-0800200c9a66"
      },
      "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-7d01f0c6fc270ab7"
}