← Back to consensus flow objects

Isoheptane

Flow Object IDfo-332e6e90dba760ce
TypeConsensus
prefLabel
Label Language
Isoheptane en
CAS Numbers31394-54-4
EC Numbers250-610-8
Changes Applied13

Properties

Predicate Value
InChIKey GXDHCNNESPLIKD-UHFFFAOYSA-N
InChI InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
IUPAC name 2-methylhexane
Molecular formula C7H16
SMILES CCCCC(C)C

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
6cc21303… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 1
0dcaff89… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
f38e1a10… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 1
b2028135… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 1
8134256b… EF 3.1 kg Environmental → Air → Unknown 4 1
9c25e80d… EF 3.1 kg Environmental → Air → Unknown 4 1
b7f73cba… EF 3.1 kg Environmental → Ground → Agricultural 4 1
11ce1d8b… EF 3.1 kg Environmental → Ground → Unknown 4 1
6fb319fd… EF 3.1 kg Environmental → Water → Ocean 4 1
bf1a2b57… EF 3.1 kg Environmental → Water → Surface water 4 1
7bda0e3b… EF 3.1 kg Environmental → Water → Unknown 4 1

Changes Applied

Elementary Flow Field Old Value New Value Comment
0dcaff89… cas_match_labels {"31394-54-4":"exactMatch"} group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'}
11ce1d8b… cas_match_labels {"31394-54-4":"exactMatch"} group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'}
6cc21303… cas_match_labels {"31394-54-4":"exactMatch"} group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'}
6fb319fd… cas_match_labels {"31394-54-4":"exactMatch"} group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'}
7bda0e3b… cas_match_labels {"31394-54-4":"exactMatch"} group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'}
8134256b… cas_match_labels {"31394-54-4":"exactMatch"} group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'}
9c25e80d… cas_match_labels {"31394-54-4":"exactMatch"} group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'}
a9a8d607… cas_match_labels {"31394-54-4":"exactMatch"} group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'}
b2028135… cas_match_labels {"31394-54-4":"exactMatch"} group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'}
b7f73cba… cas_match_labels {"31394-54-4":"exactMatch"} group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'}
bf1a2b57… cas_match_labels {"31394-54-4":"exactMatch"} group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'}
d88d2d5f… cas_match_labels {"31394-54-4":"exactMatch"} group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'}
f38e1a10… cas_match_labels {"31394-54-4":"exactMatch"} group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-332e6e90dba760ce",
  "prefLabel": [
    {
      "@value": "Isoheptane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H16"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GXDHCNNESPLIKD-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCC(C)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-methylhexane"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.564C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582;CAS:31394-54-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31394-54-4]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.008.847",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582;CAS:31394-54-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31394-54-4]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.045.994",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582;CAS:31394-54-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31394-54-4]"
      }
    },
    {
      "@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0658",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582;CAS:31394-54-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31394-54-4]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=31394-54-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "31394-54-4"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=591-76-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582;CAS:31394-54-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31394-54-4]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID5052256",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582;CAS:31394-54-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31394-54-4]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=24840",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582;CAS:31394-54-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31394-54-4]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/2-Methylhexane",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582;CAS:31394-54-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31394-54-4]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YI4679P2SP",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582;CAS:31394-54-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31394-54-4]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0245230",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582;CAS:31394-54-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31394-54-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/11582",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582;CAS:31394-54-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[31394-54-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#1206",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582;CAS:31394-54-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31394-54-4]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:230545",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582;CAS:31394-54-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31394-54-4]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1797267",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582;CAS:31394-54-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31394-54-4]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q183300",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11582;CAS:31394-54-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31394-54-4]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0dcaff89-ef85-430a-9d25-e1ac217c1aa9",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "31394-54-4"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=31394-54-4"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=31394-54-4"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "250-610-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=250-610-8"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null
}