5-methylheptan-3-one

← Back to consensus flows

UUID aa5127d8-7e03-4d13-8182-5fb1dad17895

Flow Object ID fo-9d72c13129307e47

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 541-85-5

EC Numbers 208-793-7

prefLabel

Language	Value	Provenance
`en`	`5-methylheptan-3-one`

altLabel ⓘ

Language	Value	Provenance
`en`	`(±)-5-Methyl-3-heptanone`
`en`	`2-Methylbutyl ethyl ketone`
`en`	`3-Heptanone, 5-methyl-`
`en`	`3-Methyl-5-heptanone`
`en`	`5-Methyl-3-heptanone`
`en`	`Ethyl 2-methylbutyl ketone`
`en`	`NSC 100734`

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`PSBKJPTZCVYXSD-UHFFFAOYSA-N`
InChI	`InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3`
IUPAC name	`5-methyl-3-heptanone, 5-methylheptan-3-one`
Molecular formula	`C8H16O`
Molecular mass	`128.215`
Monoisotopic mass	`128.12012`
SMILES	`CCC(=O)CC(C)CC, CCC(C)CC(=O)CC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`aa5127d8-7e03-4d13-8182-5fb1dad17895`	5-methylheptan-3-one

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	5-methylheptan-3-one	Emissions/Emissions to soil/Emissions to non-agricultural soil	kg	`exactMatch`	—

Consolidated Field Provenance

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

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=5-methylheptan-3-one\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=541-85-5; added Common Chemistry CAS names as altLabel: (±)-5-Methyl-3-heptanone, 2-Methylbutyl ethyl ketone, 3-Heptanone, 5-methyl-, 3-Methyl-5-heptanone, 5-Methyl-3-heptanone, Ethyl 2-methylbutyl ketone, NSC 100734; object_uuid=fo-9d72c13129307e47
`cas_match_labels`	1	`—`	consensus_match	group_key=5-methylheptan-3-one\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'541-85-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9d72c13129307e47: {'541-85-5': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '(±)-5-Methyl-3-heptanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:541-85-5', 'https://commonchemistry.cas.org/detail?cas_rn=541-85-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Methylbutyl ethyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:541-85-5', 'https://commonchemistry.cas.org/detail?cas_rn=541-85-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Heptanone, 5-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:541-85-5', 'https://commonchemistry.cas.org/detail?cas_rn=541-85-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-5-heptanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:541-85-5', 'https://commonchemistry.cas.org/detail?cas_rn=541-85-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Methyl-3-heptanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:541-85-5', 'https://commonchemistry.cas.org/detail?cas_rn=541-85-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 2-methylbutyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:541-85-5', 'https://commonchemistry.cas.org/detail?cas_rn=541-85-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 100734', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:541-85-5', 'https://commonchemistry.cas.org/detail?cas_rn=541-85-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=5-methylheptan-3-one\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=541-85-5; added Common Chemistry CAS names as altLabel: (±)-5-Methyl-3-heptanone, 2-Methylbutyl ethyl ketone, 3-Heptanone, 5-methyl-, 3-Methyl-5-heptanone, 5-Methyl-3-heptanone, Ethyl 2-methylbutyl ketone, NSC 100734; object_uuid=fo-9d72c13129307e47
`cas_match_labels`	`None`	`{'541-85-5': 'exactMatch'}`	group_key=5-methylheptan-3-one\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'541-85-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9d72c13129307e47: {'541-85-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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