Ionone, Methyl-

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UUID ab3cb7d7-1146-4339-acfd-058dbc57557c

Flow Object ID fo-8dc86ba33ebb0cd9

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 1335-46-2

EC Numbers 215-635-0

prefLabel

Language	Value	Provenance
`en`	`Ionone, Methyl-`

altLabel ⓘ

Language	Value	Provenance
`en`	`6-Methylionone`
`en`	`Methylionone`
`en`	`Methylionone 70`

References

Shared Properties

Predicate	Value
InChIKey	`MVPDTCQYNRKWJA-UHFFFAOYSA-N, VPKMGDRERYMTJX-CMDGGOBGSA-N, VPKMGDRERYMTJX-MMQHEFTJSA-N, VPKMGDRERYMTJX-UHFFFAOYSA-N, ZKNCYRGCDNDMLY-UHFFFAOYSA-N`
InChI	`InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11,13H,1,6-7H2,2-5H3, InChI=1S/C14H22O/c1-10-8-9-14(4,5)13(12(10)3)7-6-11(2)15/h6-7,13H,8-9H2,1-5H3, InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3, InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+, InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+/t13-/m1/s1`
IUPAC name	(E)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)-1-penten-3-one, (E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one, (E)-1-[(1S)-2,6,6-trimethyl-1-cyclohex-2-enyl]-1-penten-3-one, (E)-1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-one, 1-(2,6,6-trimethyl-1-cyclohex-2-enyl)-1-penten-3-one, 1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one, 4-(2,2,3-trimethyl-6-methylene-cyclohexyl)but-3-en-2-one, 4-(2,2,3-trimethyl-6-methylenecyclohexyl)-3-buten-2-one, 4-(2,2,3-trimethyl-6-methylidene-cyclohexyl)but-3-en-2-one, 4-(2,2,3-trimethyl-6-methylidenecyclohexyl)but-3-en-2-one, 4-(2,3,6,6-tetramethyl-1-cyclohex-2-enyl)-3-buten-2-one, 4-(2,3,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
Molecular formula	`C14H22O`
SMILES	`CC1=C(C(C(CC1)(C)C)C=CC(=O)C)C, CC1CCC(=C)C(C1(C)C)C=CC(=O)C, CCC(=O)/C=C/C1C(=CCCC1(C)C)C, CCC(=O)/C=C/[C@@H]1C(=CCCC1(C)C)C, CCC(=O)C=CC1C(=CCCC1(C)C)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`ab3cb7d7-1146-4339-acfd-058dbc57557c`	ionone, methyl-

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	ionone, methyl-	Emissions/Emissions to water/Emissions to water, unspecified	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=ionone,methyl-\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=1335-46-2; added Common Chemistry CAS names as altLabel: 6-Methylionone, Methylionone, Methylionone 70; object_uuid=fo-8dc86ba33ebb0cd9
`cas_match_labels`	1	`—`	consensus_match	group_key=ionone,methyl-\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'1335-46-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8dc86ba33ebb0cd9: {'1335-46-2': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '6-Methylionone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1335-46-2', 'https://commonchemistry.cas.org/detail?cas_rn=1335-46-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methylionone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1335-46-2', 'https://commonchemistry.cas.org/detail?cas_rn=1335-46-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methylionone 70', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1335-46-2', 'https://commonchemistry.cas.org/detail?cas_rn=1335-46-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=ionone,methyl-\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=1335-46-2; added Common Chemistry CAS names as altLabel: 6-Methylionone, Methylionone, Methylionone 70; object_uuid=fo-8dc86ba33ebb0cd9
`cas_match_labels`	`None`	`{'1335-46-2': 'exactMatch'}`	group_key=ionone,methyl-\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'1335-46-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8dc86ba33ebb0cd9: {'1335-46-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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