Isophorone

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UUID fe0acd60-3ddc-11dd-a554-0050c2490048

Flow Object ID fo-d70b9fb874f69197

Source EF 3.1

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

CAS Numbers 78-59-1

EC Numbers 201-126-0

prefLabel

Language	Value	Provenance
`en`	`Isophorone`

altLabel ⓘ

Language	Value	Provenance
`en`	`1,1,3-Trimethyl-3-cyclohexene-5-one`
`en`	`3,5,5-Trimethyl-2-cyclohexen-1-on`
`en`	`3,5,5-trimethylcyclohex-2-en-1-one`
`en`	`Isoacetophorone`
`en`	`Isoforone`
`en`	`Isooctopherone`
`en`	`Izoforon`
`en`	`1,5,5-Trimethyl-3-oxocyclohexene`
`en`	`1-Cyclohexen-3-one, 1,5,5-trimethyl-`
`en`	`2-Cyclohexen-1-one, 3,5,5-trimethyl-`
`en`	`3,5,5-Trimethyl-2-cyclohexen-1-one`
`en`	`3,5,5-Trimethyl-2-cyclohexene-1-one`
`en`	`3,5,5-Trimethyl-2-cyclohexenone`
`en`	`Isoforon`
`en`	`Isophoron`
`en`	`NSC 403657`
`en`	`NSC 4881`
`en`	`α-Isophoron`
`en`	`α-Isophorone`

Definitions

Language	Value	Provenance
`en`	A cyclic ketone, the structure of which is that of cyclohex-2-en-1-one substituted by methyl groups at positions 3, 5 and 5.

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`HJOVHMDZYOCNQW-UHFFFAOYSA-N`
InChI	`InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3`
IUPAC name	`3,5,5-trimethyl-1-cyclohex-2-enone, 3,5,5-trimethylcyclohex-2-en-1-one`
Molecular formula	`C9H14O`
Molecular mass	`138.21`
Monoisotopic mass	`138.10447`
SMILES	`CC1=CC(=O)CC(C)(C)C1, CC1=CC(=O)CC(C1)(C)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`fe0acd60-3ddc-11dd-a554-0050c2490048`	isophorone

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	isophorone	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=isophorone\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=78-59-1; added Common Chemistry CAS names as altLabel: 1,5,5-Trimethyl-3-oxocyclohexene, 1-Cyclohexen-3-one, 1,5,5-trimethyl-, 2-Cyclohexen-1-one, 3,5,5-trimethyl-, 3,5,5-Trimethyl-2-cyclohexen-1-one, 3,5,5-Trimethyl-2-cyclohexene-1-one, 3,5,5-Trimethyl-2-cyclohexenone, Isoforon, Isophoron, NSC 403657, NSC 4881, α-Isophoron, α-Isophorone; object_uuid=fo-d70b9fb874f69197
`cas_match_labels`	1	`—`	consensus_match	group_key=isophorone\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'78-59-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d70b9fb874f69197: {'78-59-1': '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`	[{'@value': '1,1,3-Trimethyl-3-cyclohexene-5-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,1,3-Trimethyl-3-cyclohexene-5-one', 'http://purl.obolibrary.org/obo/CHEBI_34800', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,5,5-Trimethyl-2-cyclohexen-1-on', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,5,5-Trimethyl-2-cyclohexen-1-on', 'http://purl.obolibrary.org/obo/CHEBI_34800', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,5,5-trimethylcyclohex-2-en-1-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,5,5-trimethylcyclohex-2-en-1-one', 'http://purl.obolibrary.org/obo/CHEBI_34800', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isoacetophorone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isoacetophorone', 'http://purl.obolibrary.org/obo/CHEBI_34800', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isoforone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isoforone', 'http://purl.obolibrary.org/obo/CHEBI_34800', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isooctopherone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isooctopherone', 'http://purl.obolibrary.org/obo/CHEBI_34800', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Izoforon', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Izoforon', 'http://purl.obolibrary.org/obo/CHEBI_34800', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]	[{'@value': '1,1,3-Trimethyl-3-cyclohexene-5-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,1,3-Trimethyl-3-cyclohexene-5-one', 'http://purl.obolibrary.org/obo/CHEBI_34800', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,5,5-Trimethyl-2-cyclohexen-1-on', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,5,5-Trimethyl-2-cyclohexen-1-on', 'http://purl.obolibrary.org/obo/CHEBI_34800', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,5,5-trimethylcyclohex-2-en-1-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,5,5-trimethylcyclohex-2-en-1-one', 'http://purl.obolibrary.org/obo/CHEBI_34800', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isoacetophorone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isoacetophorone', 'http://purl.obolibrary.org/obo/CHEBI_34800', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isoforone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isoforone', 'http://purl.obolibrary.org/obo/CHEBI_34800', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isooctopherone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isooctopherone', 'http://purl.obolibrary.org/obo/CHEBI_34800', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Izoforon', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Izoforon', 'http://purl.obolibrary.org/obo/CHEBI_34800', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,5,5-Trimethyl-3-oxocyclohexene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-59-1', 'https://commonchemistry.cas.org/detail?cas_rn=78-59-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Cyclohexen-3-one, 1,5,5-trimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-59-1', 'https://commonchemistry.cas.org/detail?cas_rn=78-59-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Cyclohexen-1-one, 3,5,5-trimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-59-1', 'https://commonchemistry.cas.org/detail?cas_rn=78-59-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,5,5-Trimethyl-2-cyclohexen-1-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-59-1', 'https://commonchemistry.cas.org/detail?cas_rn=78-59-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,5,5-Trimethyl-2-cyclohexene-1-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-59-1', 'https://commonchemistry.cas.org/detail?cas_rn=78-59-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,5,5-Trimethyl-2-cyclohexenone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-59-1', 'https://commonchemistry.cas.org/detail?cas_rn=78-59-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isoforon', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-59-1', 'https://commonchemistry.cas.org/detail?cas_rn=78-59-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isophoron', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-59-1', 'https://commonchemistry.cas.org/detail?cas_rn=78-59-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 403657', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-59-1', 'https://commonchemistry.cas.org/detail?cas_rn=78-59-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 4881', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-59-1', 'https://commonchemistry.cas.org/detail?cas_rn=78-59-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Isophoron', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-59-1', 'https://commonchemistry.cas.org/detail?cas_rn=78-59-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Isophorone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-59-1', 'https://commonchemistry.cas.org/detail?cas_rn=78-59-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=isophorone\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=78-59-1; added Common Chemistry CAS names as altLabel: 1,5,5-Trimethyl-3-oxocyclohexene, 1-Cyclohexen-3-one, 1,5,5-trimethyl-, 2-Cyclohexen-1-one, 3,5,5-trimethyl-, 3,5,5-Trimethyl-2-cyclohexen-1-one, 3,5,5-Trimethyl-2-cyclohexene-1-one, 3,5,5-Trimethyl-2-cyclohexenone, Isoforon, Isophoron, NSC 403657, NSC 4881, α-Isophoron, α-Isophorone; object_uuid=fo-d70b9fb874f69197
`cas_match_labels`	`None`	`{'78-59-1': 'exactMatch'}`	group_key=isophorone\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'78-59-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d70b9fb874f69197: {'78-59-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "strata": "Ground level",
    "population_density": "Rural (<1000 people/square mile)"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
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