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Butanol

2D structure
Flow Object IDfo-fb1e02b689a87d4a
TypeConsensus
prefLabel
Label Language
Butanol en
CAS Numbers 35296-72-1
EC Numbers 200-751-6
Changes Applied13

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow08a91e70-3ddc-11dd-90e6-0050c2490048

Properties

Predicate Value
InChIKey LRHPLDYGYMQRHN-UHFFFAOYSA-N
InChI InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
IUPAC name Butanol
Molecular formula C4H10O
Molecular mass 74.123
Monoisotopic mass 74.073165
SMILES CCCCO

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
d86bc593… EF 3.1 kg Environmental → Air → Aircraft cruise height 5 1
d86b9e8e… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 1 1
d86c3aa7… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 5 1
d86becac… EF 3.1 kg Environmental → Air → High stack, >150 meters 5 1
5ea15bd1… EF 3.1 kg Environmental → Air → Unknown 4 1
d86b9e88… EF 3.1 kg Environmental → Air → Unknown 5 1
d86b9e6b… EF 3.1 kg Environmental → Ground → Agricultural 4 1
d86bec8f… EF 3.1 kg Environmental → Ground → Unknown 4 1
08a91e70… EF 3.1 kg Environmental → Water → Ocean 4 1
08a91e70… EF 3.1 kg Environmental → Water → Surface water 4 1
08a91e70… EF 3.1 kg Environmental → Water → Unknown 4 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
08a91e70… cas_match_labels — {"35296-72-1":"exactMatch"} group_key=butanol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'35296-72-1': []}; assigned CAS labels from group consensus; object_uuid=fo-fb1e02b689a87d4a: {'35296-72-1': 'exactMatch'}
08a91e70… cas_match_labels — {"35296-72-1":"exactMatch"} group_key=butanol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'35296-72-1': []}; assigned CAS labels from group consensus; object_uuid=fo-fb1e02b689a87d4a: {'35296-72-1': 'exactMatch'}
08a91e70… cas_match_labels — {"35296-72-1":"exactMatch"} group_key=butanol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'35296-72-1': []}; assigned CAS labels from group consensus; object_uuid=fo-fb1e02b689a87d4a: {'35296-72-1': 'exactMatch'}
08a91e70… cas_match_labels — {"35296-72-1":"exactMatch"} group_key=butanol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'35296-72-1': []}; assigned CAS labels from group consensus; object_uuid=fo-fb1e02b689a87d4a: {'35296-72-1': 'exactMatch'}
5ea15bd1… cas_match_labels — {"35296-72-1":"exactMatch"} group_key=butanol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'35296-72-1': []}; assigned CAS labels from group consensus; object_uuid=fo-fb1e02b689a87d4a: {'35296-72-1': 'exactMatch'}
d86b9e6b… cas_match_labels — {"35296-72-1":"exactMatch"} group_key=butanol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'35296-72-1': []}; assigned CAS labels from group consensus; object_uuid=fo-fb1e02b689a87d4a: {'35296-72-1': 'exactMatch'}
d86b9e88… cas_match_labels — {"35296-72-1":"exactMatch"} group_key=butanol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'35296-72-1': []}; assigned CAS labels from group consensus; object_uuid=fo-fb1e02b689a87d4a: {'35296-72-1': 'exactMatch'}
d86b9e8e… cas_match_labels — {"35296-72-1":"exactMatch"} group_key=butanol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'35296-72-1': []}; assigned CAS labels from group consensus; object_uuid=fo-fb1e02b689a87d4a: {'35296-72-1': 'exactMatch'}
d86bc593… cas_match_labels — {"35296-72-1":"exactMatch"} group_key=butanol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'35296-72-1': []}; assigned CAS labels from group consensus; object_uuid=fo-fb1e02b689a87d4a: {'35296-72-1': 'exactMatch'}
d86bec8f… cas_match_labels — {"35296-72-1":"exactMatch"} group_key=butanol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'35296-72-1': []}; assigned CAS labels from group consensus; object_uuid=fo-fb1e02b689a87d4a: {'35296-72-1': 'exactMatch'}
d86becac… cas_match_labels — {"35296-72-1":"exactMatch"} group_key=butanol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'35296-72-1': []}; assigned CAS labels from group consensus; object_uuid=fo-fb1e02b689a87d4a: {'35296-72-1': 'exactMatch'}
d86c13b4… cas_match_labels — {"35296-72-1":"exactMatch"} group_key=butanol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'35296-72-1': []}; assigned CAS labels from group consensus; object_uuid=fo-fb1e02b689a87d4a: {'35296-72-1': 'exactMatch'}
d86c3aa7… cas_match_labels — {"35296-72-1":"exactMatch"} group_key=butanol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'35296-72-1': []}; assigned CAS labels from group consensus; object_uuid=fo-fb1e02b689a87d4a: {'35296-72-1': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-fb1e02b689a87d4a",
  "prefLabel": [
    {
      "@value": "Butanol",
      "@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": [
        "Butanol"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Butanol"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCO"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Butanol"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCO"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Butanol"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCO"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "LRHPLDYGYMQRHN-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCCCO"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C4H10O"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCCCO"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "74.123"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCCCO"
        ]
      },
      "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": [
        "74.073165"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCCCO"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=35296-72-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "35296-72-1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "08a91e70-3ddc-11dd-90e6-0050c2490048",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "35296-72-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=35296-72-1"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=35296-72-1"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      },
      "per_value_provenance": {
        "35296-72-1": {
          "prov:wasGeneratedBy": "commonchem_cas_review",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "https://commonchemistry.cas.org/detail?cas_rn=35296-72-1"
          ],
          "prov:wasDerivedFrom": "Common Chemistry exact-name CAS update"
        }
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "200-751-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=200-751-6"
      ],
      "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
}