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Pentanol

2D structure
Flow Object IDfo-58740fdb220510f2
TypeConsensus
prefLabel
Label Language
Pentanol en
Definitions
Language Value Provenance
en A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of five carbon atoms.
CAS Numbers 30899-19-5
EC Numbers 250-378-8
Changes Applied13

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow08a91e70-3ddc-11dd-9b30-0050c2490048

Properties

Predicate Value
InChIKey AMQJEAYHLZJPGS-UHFFFAOYSA-N
InChI InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
IUPAC name Pentanol
Molecular formula C5H12O
Molecular mass 88.15
Monoisotopic mass 88.088815
SMILES CCCCCO

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
3e4d0281… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 1
08a91e70… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
08a91e70… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 1
08a91e70… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 1
08a91e70… EF 3.1 kg Environmental → Air → Unknown 2 1
3ac086bc… EF 3.1 kg Environmental → Air → Unknown 2 1
3e4d027f… EF 3.1 kg Environmental → Ground → Agricultural 2 1
3e4d2960… EF 3.1 kg Environmental → Ground → Unknown 2 1
3e4d2961… EF 3.1 kg Environmental → Water → Ocean 2 1
3e4d0280… EF 3.1 kg Environmental → Water → Surface water 2 1
3e4d2963… EF 3.1 kg Environmental → Water → Unknown 2 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
08a91e70… cas_match_labels — {"30899-19-5":"exactMatch"} group_key=pentanol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'30899-19-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-58740fdb220510f2: {'30899-19-5': 'exactMatch'}
08a91e70… cas_match_labels — {"30899-19-5":"exactMatch"} group_key=pentanol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'30899-19-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-58740fdb220510f2: {'30899-19-5': 'exactMatch'}
08a91e70… cas_match_labels — {"30899-19-5":"exactMatch"} group_key=pentanol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'30899-19-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-58740fdb220510f2: {'30899-19-5': 'exactMatch'}
08a91e70… cas_match_labels — {"30899-19-5":"exactMatch"} group_key=pentanol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'30899-19-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-58740fdb220510f2: {'30899-19-5': 'exactMatch'}
3ac086bc… cas_match_labels — {"30899-19-5":"exactMatch"} group_key=pentanol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'30899-19-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-58740fdb220510f2: {'30899-19-5': 'exactMatch'}
3e4d027f… cas_match_labels — {"30899-19-5":"exactMatch"} group_key=pentanol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'30899-19-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-58740fdb220510f2: {'30899-19-5': 'exactMatch'}
3e4d0280… cas_match_labels — {"30899-19-5":"exactMatch"} group_key=pentanol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'30899-19-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-58740fdb220510f2: {'30899-19-5': 'exactMatch'}
3e4d0281… cas_match_labels — {"30899-19-5":"exactMatch"} group_key=pentanol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'30899-19-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-58740fdb220510f2: {'30899-19-5': 'exactMatch'}
3e4d2960… cas_match_labels — {"30899-19-5":"exactMatch"} group_key=pentanol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'30899-19-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-58740fdb220510f2: {'30899-19-5': 'exactMatch'}
3e4d2961… cas_match_labels — {"30899-19-5":"exactMatch"} group_key=pentanol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'30899-19-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-58740fdb220510f2: {'30899-19-5': 'exactMatch'}
3e4d2962… cas_match_labels — {"30899-19-5":"exactMatch"} group_key=pentanol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'30899-19-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-58740fdb220510f2: {'30899-19-5': 'exactMatch'}
3e4d2963… cas_match_labels — {"30899-19-5":"exactMatch"} group_key=pentanol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'30899-19-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-58740fdb220510f2: {'30899-19-5': 'exactMatch'}
3e4d2964… cas_match_labels — {"30899-19-5":"exactMatch"} group_key=pentanol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'30899-19-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-58740fdb220510f2: {'30899-19-5': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-58740fdb220510f2",
  "prefLabel": [
    {
      "@value": "Pentanol",
      "@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": [
        "Pentanol"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Pentanol"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCO"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Pentanol"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCO"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Pentanol"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCO"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "AMQJEAYHLZJPGS-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCCCCO"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C5H12O"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCCCCO"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "88.15"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCCCCO"
        ]
      },
      "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": [
        "88.088815"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCCCCO"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=30899-19-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_143597"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:143597",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_id_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_143597"
        ],
        "prov:wasDerivedFrom": "chebi.id"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "08a91e70-3ddc-11dd-9b30-0050c2490048",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "30899-19-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=30899-19-5"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=30899-19-5"
        }
      ],
      "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": [
        "250-378-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=250-378-8"
      ],
      "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,
  "skos:definition": [
    {
      "@value": "A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of five carbon atoms.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_143597"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ]
}