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3-hexanone

Flow Object IDfo-560eeae13e799131
TypeConsensus
prefLabel
Label Language
3-hexanone en
Alt Labels
Label Language Provenance
3-Oxohexane en —
Ethyl n-propyl ketone en —
Ethyl propyl ketone en —
hexan-3-one en —
Definitions
Language Value Provenance
en A dialkyl ketone that is hexane in which the two methylene protons at position 3 have been replaced by an oxo group.
CAS Numbers589-38-8
EC Numbers209-645-4
Changes Applied12

Properties

Predicate Value
Formal charge 0
InChIKey PFCHFHIRKBAQGU-UHFFFAOYSA-N
InChI InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
IUPAC name 3-hexanone, hexan-3-one
Molecular formula C6H12O
Molecular mass 100.161
Monoisotopic mass 100.08882
SMILES CCCC(=O)CC

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
0d7a620e… EF 3.1 kg Environmental → Air → Aircraft cruise height 1 1
08a91e70… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 1 1
08a91e70… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 1 1
08a91e70… EF 3.1 kg Environmental → Air → High stack, >150 meters 1 1
fe0acd60… EF 3.1 kg Environmental → Air → Unknown 1 1
0d7a620b… EF 3.1 kg Environmental → Ground → Agricultural 0 1
0d7a620f… EF 3.1 kg Environmental → Ground → Unknown 0 1
0d7a6210… EF 3.1 kg Environmental → Water → Ocean 0 1
0d7a620c… EF 3.1 kg Environmental → Water → Surface water 0 1
0d7a6212… EF 3.1 kg Environmental → Water → Unknown 0 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
08a91e70… cas_match_labels — {"589-38-8":"exactMatch"} group_key=3-hexanone||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-38-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-560eeae13e799131: {'589-38-8': 'exactMatch'}
08a91e70… cas_match_labels — {"589-38-8":"exactMatch"} group_key=3-hexanone||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-38-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-560eeae13e799131: {'589-38-8': 'exactMatch'}
08a91e70… cas_match_labels — {"589-38-8":"exactMatch"} group_key=3-hexanone||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-38-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-560eeae13e799131: {'589-38-8': 'exactMatch'}
0d7a620b… cas_match_labels — {"589-38-8":"exactMatch"} group_key=3-hexanone||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-38-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-560eeae13e799131: {'589-38-8': 'exactMatch'}
0d7a620c… cas_match_labels — {"589-38-8":"exactMatch"} group_key=3-hexanone||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-38-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-560eeae13e799131: {'589-38-8': 'exactMatch'}
0d7a620e… cas_match_labels — {"589-38-8":"exactMatch"} group_key=3-hexanone||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-38-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-560eeae13e799131: {'589-38-8': 'exactMatch'}
0d7a620f… cas_match_labels — {"589-38-8":"exactMatch"} group_key=3-hexanone||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-38-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-560eeae13e799131: {'589-38-8': 'exactMatch'}
0d7a6210… cas_match_labels — {"589-38-8":"exactMatch"} group_key=3-hexanone||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-38-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-560eeae13e799131: {'589-38-8': 'exactMatch'}
0d7a6211… cas_match_labels — {"589-38-8":"exactMatch"} group_key=3-hexanone||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-38-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-560eeae13e799131: {'589-38-8': 'exactMatch'}
0d7a6212… cas_match_labels — {"589-38-8":"exactMatch"} group_key=3-hexanone||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-38-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-560eeae13e799131: {'589-38-8': 'exactMatch'}
0d7a6213… cas_match_labels — {"589-38-8":"exactMatch"} group_key=3-hexanone||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-38-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-560eeae13e799131: {'589-38-8': 'exactMatch'}
fe0acd60… cas_match_labels — {"589-38-8":"exactMatch"} group_key=3-hexanone||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-38-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-560eeae13e799131: {'589-38-8': 'exactMatch'}

Flow Object JSON

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  "flow_object_id": "fo-560eeae13e799131",
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      "@value": "3-hexanone",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "prefLabel"
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  ],
  "altLabel": [
    {
      "@value": "3-Oxohexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "altLabel"
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    },
    {
      "@value": "Ethyl n-propyl ketone",
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    },
    {
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        "prov:wasDerivedFrom": "altLabel"
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    },
    {
      "@value": "hexan-3-one",
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