3-cyano-3,5,5-trimethylcyclohexanone

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3-cyano-3,5,5-trimethylcyclohexanone

UUID d534694c-ac94-4aef-a63d-2ff25d789570

Flow Object ID fo-94a4df937a0a87ff

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 7027-11-4

EC Numbers 411-490-4

prefLabel

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

altLabel ⓘ

Language	Value	Provenance
`en`	`1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile`
`en`	`1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile`
`en`	`3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone`
`en`	`3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile`
`en`	`Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-`
`en`	`Isophoronenitrile`
`en`	`NSC 171143`

References

Shared Properties

Predicate	Value
InChIKey	`CYHCTMPPTYOCBW-UHFFFAOYSA-N, JJDFVIDVSCYKDS-UHFFFAOYSA-N`
InChI	`InChI=1S/C10H15NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h4-6H2,1-3H3, InChI=1S/C20H18Cl2N4O3S2/c21-16-4-1-15(18(22)11-16)12-23-25-20-24-19(13-30-20)14-2-5-17(6-3-14)31(27,28)26-7-9-29-10-8-26/h1-6,11-13H,7-10H2,(H,24,25)`
IUPAC name	1,3,3-trimethyl-5-oxidanylidene-cyclohexane-1-carbonitrile, 1,3,3-trimethyl-5-oxo-1-cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxocyclohexane-1-carbonitrile, 5-keto-1,3,3-trimethyl-cyclohexanecarbonitrile, N-[(2,4-dichlorophenyl)methyleneamino]-4-(4-morpholinosulfonylphenyl)thiazol-2-amine, N-[(2,4-dichlorophenyl)methylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine, N-[(2,4-dichlorophenyl)methylideneamino]-4-[4-(4-morpholinylsulfonyl)phenyl]-2-thiazolamine, [(2,4-dichlorobenzylidene)amino]-[4-(4-morpholinosulfonylphenyl)thiazol-2-yl]amine
Molecular formula	`C10H15NO, C20H18Cl2N4O3S2`
SMILES	`C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NN=CC4=C(C=C(C=C4)Cl)Cl, CC1(CC(=O)CC(C1)(C)C#N)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`d534694c-ac94-4aef-a63d-2ff25d789570`	3-cyano-3,5,5-trimethylcyclohexanone

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	3-cyano-3,5,5-trimethylcyclohexanone	Emissions/Emissions to air/Emissions to air, indoor	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-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=7027-11-4; added Common Chemistry CAS names as altLabel: 1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile, 1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile, 3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone, 3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile, Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-, Isophoronenitrile, NSC 171143; object_uuid=fo-94a4df937a0a87ff
`cas_match_labels`	1	`—`	consensus_match	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'7027-11-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94a4df937a0a87ff: {'7027-11-4': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
indoor	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7027-11-4', 'https://commonchemistry.cas.org/detail?cas_rn=7027-11-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7027-11-4', 'https://commonchemistry.cas.org/detail?cas_rn=7027-11-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7027-11-4', 'https://commonchemistry.cas.org/detail?cas_rn=7027-11-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7027-11-4', 'https://commonchemistry.cas.org/detail?cas_rn=7027-11-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7027-11-4', 'https://commonchemistry.cas.org/detail?cas_rn=7027-11-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isophoronenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7027-11-4', 'https://commonchemistry.cas.org/detail?cas_rn=7027-11-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 171143', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7027-11-4', 'https://commonchemistry.cas.org/detail?cas_rn=7027-11-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=7027-11-4; added Common Chemistry CAS names as altLabel: 1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile, 1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile, 3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone, 3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile, Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-, Isophoronenitrile, NSC 171143; object_uuid=fo-94a4df937a0a87ff
`cas_match_labels`	`None`	`{'7027-11-4': 'exactMatch'}`	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'7027-11-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94a4df937a0a87ff: {'7027-11-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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