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3-Octanone

UUID 9e41d041-914e-4395-8564-ada97e458d41
Flow Object IDfo-5dfd588d986a4c47
Source EF 3.1
Context Environmental → Air → Aircraft cruise height
CAS Numbers 106-68-3
EC Numbers 203-423-0
prefLabel ⓘ
Language Value Provenance
en 3-Octanone
altLabel ⓘ
Language Value Provenance
en 3-Oxooctane
en Amyl ethyl ketone
en EAK
en Ethyl amyl ketone
en Ethyl n-amyl ketone
en Ethyl n-pentyl ketone
en Ethyl pentyl ketone
en n-Amyl ethyl ketone
en 3-Octanal
en <em>n</em>-Amyl ethyl ketone
en <em>n</em>-Octanone-3
en Ethyl <em>n</em>-amyl ketone
en Ethyl <em>n</em>-pentyl ketone
en NSC 60161
Definitions
Language Value Provenance
en A dialkyl ketone that is octane in which the two methylene protons at position 3 have been replaced by an oxo group.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey RHLVCLIPMVJYKS-UHFFFAOYSA-N
InChI InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
IUPAC name 3-octanone, octan-3-one
Molecular formula C8H16O
Molecular mass 128.215
Monoisotopic mass 128.12012
SMILES CCCCCC(=O)CC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 9e41d041-914e-4395-8564-ada97e458d41 octan-3-one

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 octan-3-one Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=octan-3-one||dimension=Environmental > media=Water > water_body=Unknown; cas=106-68-3; added Common Chemistry CAS names as altLabel: 3-Octanal, <em>n</em>-Amyl ethyl ketone, <em>n</em>-Octanone-3, Ethyl <em>n</em>-amyl ketone, Ethyl <em>n</em>-pentyl ketone, NSC 60161; object_uuid=fo-5dfd588d986a4c47
cas_match_labels 1 — consensus_match group_key=octan-3-one||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'106-68-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5dfd588d986a4c47: {'106-68-3': 'exactMatch'}
prefLabel 1 — consensus_match cas=106-68-3; cc_chebi_agreed_name='3-Octanone'; object_uuid=fo-5dfd588d986a4c47

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataAircraft cruise height

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Octan-3-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': '3-Octanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-68-3'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=106-68-3; cc_chebi_agreed_name='3-Octanone'; object_uuid=fo-5dfd588d986a4c47
altLabel [{'@value': '3-Oxooctane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Oxooctane', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Amyl ethyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Amyl ethyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'EAK', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:EAK', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl amyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl amyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl n-amyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl n-amyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl n-pentyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl n-pentyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl pentyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl pentyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'n-Amyl ethyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:n-Amyl ethyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '3-Oxooctane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Oxooctane', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Amyl ethyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Amyl ethyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'EAK', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:EAK', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl amyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl amyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl n-amyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl n-amyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl n-pentyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl n-pentyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl pentyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl pentyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'n-Amyl ethyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:n-Amyl ethyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Octan-3-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=106-68-3; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-5dfd588d986a4c47
altLabel [{'@value': '3-Oxooctane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Oxooctane', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Amyl ethyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Amyl ethyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'EAK', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:EAK', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl amyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl amyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl n-amyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl n-amyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl n-pentyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl n-pentyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl pentyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl pentyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'n-Amyl ethyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:n-Amyl ethyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Octan-3-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '3-Oxooctane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Oxooctane', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Amyl ethyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Amyl ethyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'EAK', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:EAK', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl amyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl amyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl n-amyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl n-amyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl n-pentyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl n-pentyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl pentyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl pentyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'n-Amyl ethyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:n-Amyl ethyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_80946', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-Octanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-68-3', 'https://commonchemistry.cas.org/detail?cas_rn=106-68-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>n</em>-Amyl ethyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-68-3', 'https://commonchemistry.cas.org/detail?cas_rn=106-68-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>n</em>-Octanone-3', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-68-3', 'https://commonchemistry.cas.org/detail?cas_rn=106-68-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl <em>n</em>-amyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-68-3', 'https://commonchemistry.cas.org/detail?cas_rn=106-68-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl <em>n</em>-pentyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-68-3', 'https://commonchemistry.cas.org/detail?cas_rn=106-68-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 60161', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-68-3', 'https://commonchemistry.cas.org/detail?cas_rn=106-68-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=octan-3-one||dimension=Environmental > media=Water > water_body=Unknown; cas=106-68-3; added Common Chemistry CAS names as altLabel: 3-Octanal, <em>n</em>-Amyl ethyl ketone, <em>n</em>-Octanone-3, Ethyl <em>n</em>-amyl ketone, Ethyl <em>n</em>-pentyl ketone, NSC 60161; object_uuid=fo-5dfd588d986a4c47
cas_match_labels None {'106-68-3': 'exactMatch'} group_key=octan-3-one||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'106-68-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5dfd588d986a4c47: {'106-68-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
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  "name": null,
  "cas_numbers": [
    "106-68-3"
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  "ec_numbers": [
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  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Aircraft cruise height"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.40777
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    {
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      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.40777
    }
  ],
  "source": "EF 3.1",
  "identifier": "9e41d041-914e-4395-8564-ada97e458d41",
  "input_datasets": [
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      "source_flow_name": "octan-3-one",
      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to air",
          "Emissions to lower stratosphere and upper troposphere"
        ]
      }
    }
  ],
  "prefLabel": [
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  "_sources": {
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  "properties": {
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      "provenance": [
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      "@value": [
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      "rdfs:label": "InChIKey",
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