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Ketoisophorone

UUID ea588def-7b26-46fe-a083-480248f0f57b
Deprecated yes
Replaced By 6fcefe0e-b9f2-4fd2-a456-9c6c6b80e41c
Flow Object IDfo-83ca12c558d2c6e0
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 1125-21-9
EC Numbers 214-406-2
prefLabel
Language Value Provenance
en Ketoisophorone
altLabel ⓘ
Language Value Provenance
en 2,6,6-Trimethyl-2-cyclohexen-1,4-dione
en 2,6,6-Trimethyl-2-cyclohexene-1,4-dione
en 2-Cyclohexene-1,4-dione, 2,6,6-trimethyl-
en 3,5,5-Trimethyl-2-cyclohexene-1,4-dione
en 4-Ketoisophorone
en 4-Oxo-α-isophorone
en 4-Oxoisophorone
en 6-Oxoisophorone
en <em>keto</em>-Isophorone
en Oxoisophorone
en Oxopholone
en Oxophorone
en 2,6,6-trimethylcyclohex-2-ene-1,4-dione
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey AYJXHIDNNLJQDT-UHFFFAOYSA-N
InChI InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3
IUPAC name 2,6,6-trimethylcyclohex-2-ene-1,4-dione, 2,6,6-trimethylcyclohex-2-ene-1,4-quinone
Molecular formula C9H12O2
Molecular mass 152.193
Monoisotopic mass 152.08373
SMILES CC1=CC(=O)CC(C)(C)C1=O, CC1=CC(=O)CC(C1=O)(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 ea588def-7b26-46fe-a083-480248f0f57b 2,6,6-trimethylcyclohex-2-ene-1,4-dione

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=2,6,6-trimethylcyclohex-2-ene-1,4-dione||dimension=Environmental > media=Air > indoor=Unknown; cas=1125-21-9; added Common Chemistry CAS names as altLabel: 2,6,6-Trimethyl-2-cyclohexen-1,4-dione, 2,6,6-Trimethyl-2-cyclohexene-1,4-dione, 2-Cyclohexene-1,4-dione, 2,6,6-trimethyl-, 3,5,5-Trimethyl-2-cyclohexene-1,4-dione, 4-Ketoisophorone, 4-Oxo-α-isophorone, 4-Oxoisophorone, 6-Oxoisophorone, <em>keto</em>-Isophorone, Ketoisophorone, Oxoisophorone, Oxopholone, Oxophorone; object_uuid=fo-83ca12c558d2c6e0
cas_match_labels 1 — consensus_match group_key=2,6,6-trimethylcyclohex-2-ene-1,4-dione||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1125-21-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-83ca12c558d2c6e0: {'1125-21-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2,6,6-Trimethyl-2-cyclohexen-1,4-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1125-21-9', 'https://commonchemistry.cas.org/detail?cas_rn=1125-21-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,6,6-Trimethyl-2-cyclohexene-1,4-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1125-21-9', 'https://commonchemistry.cas.org/detail?cas_rn=1125-21-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Cyclohexene-1,4-dione, 2,6,6-trimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1125-21-9', 'https://commonchemistry.cas.org/detail?cas_rn=1125-21-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,5,5-Trimethyl-2-cyclohexene-1,4-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1125-21-9', 'https://commonchemistry.cas.org/detail?cas_rn=1125-21-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Ketoisophorone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1125-21-9', 'https://commonchemistry.cas.org/detail?cas_rn=1125-21-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Oxo-α-isophorone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1125-21-9', 'https://commonchemistry.cas.org/detail?cas_rn=1125-21-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Oxoisophorone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1125-21-9', 'https://commonchemistry.cas.org/detail?cas_rn=1125-21-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '6-Oxoisophorone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1125-21-9', 'https://commonchemistry.cas.org/detail?cas_rn=1125-21-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>keto</em>-Isophorone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1125-21-9', 'https://commonchemistry.cas.org/detail?cas_rn=1125-21-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ketoisophorone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1125-21-9', 'https://commonchemistry.cas.org/detail?cas_rn=1125-21-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Oxoisophorone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1125-21-9', 'https://commonchemistry.cas.org/detail?cas_rn=1125-21-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Oxopholone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1125-21-9', 'https://commonchemistry.cas.org/detail?cas_rn=1125-21-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Oxophorone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1125-21-9', 'https://commonchemistry.cas.org/detail?cas_rn=1125-21-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,6,6-trimethylcyclohex-2-ene-1,4-dione||dimension=Environmental > media=Air > indoor=Unknown; cas=1125-21-9; added Common Chemistry CAS names as altLabel: 2,6,6-Trimethyl-2-cyclohexen-1,4-dione, 2,6,6-Trimethyl-2-cyclohexene-1,4-dione, 2-Cyclohexene-1,4-dione, 2,6,6-trimethyl-, 3,5,5-Trimethyl-2-cyclohexene-1,4-dione, 4-Ketoisophorone, 4-Oxo-α-isophorone, 4-Oxoisophorone, 6-Oxoisophorone, <em>keto</em>-Isophorone, Ketoisophorone, Oxoisophorone, Oxopholone, Oxophorone; object_uuid=fo-83ca12c558d2c6e0
cas_match_labels None {'1125-21-9': 'exactMatch'} group_key=2,6,6-trimethylcyclohex-2-ene-1,4-dione||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1125-21-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-83ca12c558d2c6e0: {'1125-21-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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