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2-heptene

2D structure
Flow Object IDfo-c15396ea8b8ba79f
TypeConsensus
prefLabel
Label Language
2-heptene en
CAS Numbers 592-77-8
EC Numbers 209-768-3
Changes Applied12

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow1f31c0a9-6556-11dd-ad8b-0800200c9a66

Properties

Predicate Value
InChIKey OTTZHAVKAVGASB-UHFFFAOYSA-N
InChI InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3
IUPAC name 2-heptene
Molecular formula C7H14
Molecular mass 98.189
Monoisotopic mass 98.10955
SMILES CC=CCCCC

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
4d9a8790… EF 3.1 kg Environmental → Air → Aircraft cruise height 0 1
fe0acd60… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
4d9a8790… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 0 1
4d9a8790… EF 3.1 kg Environmental → Air → High stack, >150 meters 0 1
fe0acd60… EF 3.1 kg Environmental → Air → Unknown 0 1
1f31c0a9… EF 3.1 kg Environmental → Ground → Agricultural 0 1
1f31c0ab… EF 3.1 kg Environmental → Ground → Unknown 0 1
1f31c0ac… EF 3.1 kg Environmental → Water → Ocean 0 1
1f31c0aa… EF 3.1 kg Environmental → Water → Surface water 0 1
1f31c0af… EF 3.1 kg Environmental → Water → Unknown 0 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
1f31c0a9… cas_match_labels — {"592-77-8":"exactMatch"} group_key=2-heptene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'592-77-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c15396ea8b8ba79f: {'592-77-8': 'exactMatch'}
1f31c0aa… cas_match_labels — {"592-77-8":"exactMatch"} group_key=2-heptene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'592-77-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c15396ea8b8ba79f: {'592-77-8': 'exactMatch'}
1f31c0ab… cas_match_labels — {"592-77-8":"exactMatch"} group_key=2-heptene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'592-77-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c15396ea8b8ba79f: {'592-77-8': 'exactMatch'}
1f31c0ac… cas_match_labels — {"592-77-8":"exactMatch"} group_key=2-heptene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'592-77-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c15396ea8b8ba79f: {'592-77-8': 'exactMatch'}
1f31c0ae… cas_match_labels — {"592-77-8":"exactMatch"} group_key=2-heptene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'592-77-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c15396ea8b8ba79f: {'592-77-8': 'exactMatch'}
1f31c0af… cas_match_labels — {"592-77-8":"exactMatch"} group_key=2-heptene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'592-77-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c15396ea8b8ba79f: {'592-77-8': 'exactMatch'}
1f31c0b0… cas_match_labels — {"592-77-8":"exactMatch"} group_key=2-heptene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'592-77-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c15396ea8b8ba79f: {'592-77-8': 'exactMatch'}
4d9a8790… cas_match_labels — {"592-77-8":"exactMatch"} group_key=2-heptene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'592-77-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c15396ea8b8ba79f: {'592-77-8': 'exactMatch'}
4d9a8790… cas_match_labels — {"592-77-8":"exactMatch"} group_key=2-heptene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'592-77-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c15396ea8b8ba79f: {'592-77-8': 'exactMatch'}
4d9a8790… cas_match_labels — {"592-77-8":"exactMatch"} group_key=2-heptene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'592-77-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c15396ea8b8ba79f: {'592-77-8': 'exactMatch'}
fe0acd60… cas_match_labels — {"592-77-8":"exactMatch"} group_key=2-heptene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'592-77-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c15396ea8b8ba79f: {'592-77-8': 'exactMatch'}
fe0acd60… cas_match_labels — {"592-77-8":"exactMatch"} group_key=2-heptene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'592-77-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c15396ea8b8ba79f: {'592-77-8': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-c15396ea8b8ba79f",
  "prefLabel": [
    {
      "@value": "2-heptene",
      "@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/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2-heptene"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2-heptene"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC=CCCCC"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-heptene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC=CCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-heptene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC=CCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "OTTZHAVKAVGASB-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC=CCCCC"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C7H14"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC=CCCCC"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "98.189"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC=CCCCC"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        "98.10955"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC=CCCCC"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=592-77-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "592-77-8"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "1f31c0a9-6556-11dd-ad8b-0800200c9a66",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "592-77-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=592-77-8"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=592-77-8"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      },
      "per_value_provenance": {
        "592-77-8": {
          "prov:wasGeneratedBy": "commonchem_cas_review",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "https://commonchemistry.cas.org/detail?cas_rn=592-77-8"
          ],
          "prov:wasDerivedFrom": "Common Chemistry exact-name CAS update"
        }
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "209-768-3"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=209-768-3"
      ],
      "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
}