3,3,5-trimethylcyclohexanone

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3,3,5-trimethylcyclohexanone

UUID 9ad50477-ad28-41e8-83a6-2f70d6a01720

Flow Object ID fo-c5d0f0044ae41831

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

CAS Numbers 873-94-9

EC Numbers 212-855-9

prefLabel

Language	Value	Provenance
`en`	`3,3,5-trimethylcyclohexanone`

altLabel ⓘ

Language	Value	Provenance
`en`	`(±)-3,3,5-Trimethylcyclohexanone`
`en`	`(±)-Dihydroisophorone`
`en`	`3,3,5-Trimethyl-1-cyclohexanone`
`en`	`Cyclohexanone, 3,3,5-trimethyl-`
`en`	`Dihydroisophorone`

References

Shared Properties

Predicate	Value
InChIKey	`POSWICCRDBKBMH-UHFFFAOYSA-N`
InChI	`InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3`
IUPAC name	`3,3,5-trimethyl-1-cyclohexanone, 3,3,5-trimethylcyclohexan-1-one, 3,3,5-trimethylcyclohexanone`
Molecular formula	`C9H16O`
SMILES	`CC1CC(=O)CC(C1)(C)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`9ad50477-ad28-41e8-83a6-2f70d6a01720`	3,3,5-trimethylcyclohexanone

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	3,3,5-trimethylcyclohexanone	Emissions/Emissions to air/Emissions to air, unspecified (long-term)	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=3,3,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Air > strata=Unknown; cas=873-94-9; added Common Chemistry CAS names as altLabel: (±)-3,3,5-Trimethylcyclohexanone, (±)-Dihydroisophorone, 3,3,5-Trimethyl-1-cyclohexanone, Cyclohexanone, 3,3,5-trimethyl-, Dihydroisophorone; object_uuid=fo-c5d0f0044ae41831
`cas_match_labels`	1	`—`	consensus_match	group_key=3,3,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'873-94-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c5d0f0044ae41831: {'873-94-9': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Rural (<1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '(±)-3,3,5-Trimethylcyclohexanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:873-94-9', 'https://commonchemistry.cas.org/detail?cas_rn=873-94-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(±)-Dihydroisophorone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:873-94-9', 'https://commonchemistry.cas.org/detail?cas_rn=873-94-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,3,5-Trimethyl-1-cyclohexanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:873-94-9', 'https://commonchemistry.cas.org/detail?cas_rn=873-94-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexanone, 3,3,5-trimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:873-94-9', 'https://commonchemistry.cas.org/detail?cas_rn=873-94-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dihydroisophorone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:873-94-9', 'https://commonchemistry.cas.org/detail?cas_rn=873-94-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3,3,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Air > strata=Unknown; cas=873-94-9; added Common Chemistry CAS names as altLabel: (±)-3,3,5-Trimethylcyclohexanone, (±)-Dihydroisophorone, 3,3,5-Trimethyl-1-cyclohexanone, Cyclohexanone, 3,3,5-trimethyl-, Dihydroisophorone; object_uuid=fo-c5d0f0044ae41831
`cas_match_labels`	`None`	`{'873-94-9': 'exactMatch'}`	group_key=3,3,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'873-94-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c5d0f0044ae41831: {'873-94-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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