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2-Octanone

UUID 9ee9fd1b-4ed6-4f12-a5f1-f91d1e8a89e3
Flow Object IDfo-865fc8467f823145
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 111-13-7
EC Numbers 203-837-1
prefLabel
Language Value Provenance
en 2-Octanone
altLabel
Language Value Provenance
en n-hexyl methyl ketone
en 2-Oxooctane
en <em>n</em>-Hexyl methyl ketone
en Hexyl methyl ketone
en Methyl <em>n</em>-hexyl ketone
en Methyl hexyl ketone
en NSC 3712
en NSC 5936
Definitions
Language Value Provenance
en A methyl ketone that is octane substituted by an oxo group at position 2.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
InChI InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
IUPAC name 2-octanone, octan-2-one
Molecular formula C8H16O
Molecular mass 128.215
Monoisotopic mass 128.12012
SMILES CCCCCCC(=O)C, CCCCCCC(C)=O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 9ee9fd1b-4ed6-4f12-a5f1-f91d1e8a89e3 octan-2-one

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 octan-2-one Emissions/Emissions to soil/Emissions to soil, unspecified 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-2-one||dimension=Environmental > media=Water > water_body=Ocean; cas=111-13-7; added Common Chemistry CAS names as altLabel: 2-Oxooctane, <em>n</em>-Hexyl methyl ketone, Hexyl methyl ketone, Methyl <em>n</em>-hexyl ketone, Methyl hexyl ketone, NSC 3712, NSC 5936; object_uuid=fo-865fc8467f823145
cas_match_labels 1 consensus_match group_key=octan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-13-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-865fc8467f823145: {'111-13-7': 'exactMatch'}
prefLabel 1 consensus_match cas=111-13-7; cc_chebi_agreed_name='2-Octanone'; object_uuid=fo-865fc8467f823145

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Octan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': '2-Octanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-13-7'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=111-13-7; cc_chebi_agreed_name='2-Octanone'; object_uuid=fo-865fc8467f823145
altLabel [{'@value': '2-octanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-octanone', 'http://purl.obolibrary.org/obo/CHEBI_87434', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'n-hexyl methyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:n-hexyl methyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_87434', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'n-hexyl methyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:n-hexyl methyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_87434', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Octan-2-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=111-13-7; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-865fc8467f823145
altLabel [{'@value': 'n-hexyl methyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:n-hexyl methyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_87434', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Octan-2-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': 'n-hexyl methyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:n-hexyl methyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_87434', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Oxooctane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-13-7', 'https://commonchemistry.cas.org/detail?cas_rn=111-13-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>n</em>-Hexyl methyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-13-7', 'https://commonchemistry.cas.org/detail?cas_rn=111-13-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexyl methyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-13-7', 'https://commonchemistry.cas.org/detail?cas_rn=111-13-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl <em>n</em>-hexyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-13-7', 'https://commonchemistry.cas.org/detail?cas_rn=111-13-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl hexyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-13-7', 'https://commonchemistry.cas.org/detail?cas_rn=111-13-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 3712', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-13-7', 'https://commonchemistry.cas.org/detail?cas_rn=111-13-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 5936', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-13-7', 'https://commonchemistry.cas.org/detail?cas_rn=111-13-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=octan-2-one||dimension=Environmental > media=Water > water_body=Ocean; cas=111-13-7; added Common Chemistry CAS names as altLabel: 2-Oxooctane, <em>n</em>-Hexyl methyl ketone, Hexyl methyl ketone, Methyl <em>n</em>-hexyl ketone, Methyl hexyl ketone, NSC 3712, NSC 5936; object_uuid=fo-865fc8467f823145
cas_match_labels None {'111-13-7': 'exactMatch'} group_key=octan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-13-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-865fc8467f823145: {'111-13-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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