2',3',4'-trimethoxyacetophenone

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2',3',4'-trimethoxyacetophenone

UUID a367cd04-e9c5-40e7-b31e-59304296bc70

Flow Object ID fo-5e58319d4da550d2

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 13909-73-4

EC Numbers 237-678-4

prefLabel

Language	Value	Provenance
`en`	`2',3',4'-trimethoxyacetophenone`

altLabel ⓘ

Language	Value	Provenance
`en`	`1-(2,3,4-Trimethoxyphenyl)ethan-1-one`
`en`	`1-(2,3,4-Trimethoxyphenyl)ethanone`
`en`	`2′,3′,4′-Trimethoxyacetophenone`
`en`	`Acetophenone, 2′,3′,4′-trimethoxy-`
`en`	`Ethanone, 1-(2,3,4-trimethoxyphenyl)-`
`en`	`Methyl 2,3,4-trimethoxyphenyl ketone`
`en`	`NSC 68811`
`en`	`Tri-<em>O</em>-methylgallacetophenone`

References

Shared Properties

Predicate	Value
InChIKey	`FMDPOTBKJNHQLC-UHFFFAOYSA-N, PKNAATJMQOUREZ-UHFFFAOYSA-N`
InChI	`InChI=1S/C11H14O4/c1-7(12)8-5-6-9(13-2)11(15-4)10(8)14-3/h5-6H,1-4H3, InChI=1S/C22H25N3O4.CH4O3S/c1-26-18-7-13-5-6-25(12-14(13)8-19(18)27-2)22-10-16(23)15-9-20(28-3)21(29-4)11-17(15)24-22;1-5(2,3)4/h7-11H,5-6,12H2,1-4H3,(H2,23,24);1H3,(H,2,3,4)`
IUPAC name	`1-(2,3,4-trimethoxyphenyl)ethanone, 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-4-quinolinamine;methanesulfonic acid, 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-quinolin-4-amine;methanesulfonic acid, 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinolin-4-amine;methanesulfonic acid, [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-4-quinolyl]amine;mesylic acid`
Molecular formula	`C11H14O4, C23H29N3O7S`
SMILES	`CC(=O)C1=C(C(=C(C=C1)OC)OC)OC, COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC(=C(C=C4C(=C3)N)OC)OC)OC.CS(=O)(=O)O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`a367cd04-e9c5-40e7-b31e-59304296bc70`	2',3',4'-trimethoxyacetophenone

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2',3',4'-trimethoxyacetophenone	Emissions/Emissions to air/Emissions to air, 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=2',3',4'-trimethoxyacetophenone\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=13909-73-4; added Common Chemistry CAS names as altLabel: 1-(2,3,4-Trimethoxyphenyl)ethan-1-one, 1-(2,3,4-Trimethoxyphenyl)ethanone, 2′,3′,4′-Trimethoxyacetophenone, Acetophenone, 2′,3′,4′-trimethoxy-, Ethanone, 1-(2,3,4-trimethoxyphenyl)-, Methyl 2,3,4-trimethoxyphenyl ketone, NSC 68811, Tri-<em>O</em>-methylgallacetophenone; object_uuid=fo-5e58319d4da550d2
`cas_match_labels`	1	`—`	consensus_match	group_key=2',3',4'-trimethoxyacetophenone\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'13909-73-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5e58319d4da550d2: {'13909-73-4': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1-(2,3,4-Trimethoxyphenyl)ethan-1-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13909-73-4', 'https://commonchemistry.cas.org/detail?cas_rn=13909-73-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-(2,3,4-Trimethoxyphenyl)ethanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13909-73-4', 'https://commonchemistry.cas.org/detail?cas_rn=13909-73-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2′,3′,4′-Trimethoxyacetophenone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13909-73-4', 'https://commonchemistry.cas.org/detail?cas_rn=13909-73-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetophenone, 2′,3′,4′-trimethoxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13909-73-4', 'https://commonchemistry.cas.org/detail?cas_rn=13909-73-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethanone, 1-(2,3,4-trimethoxyphenyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13909-73-4', 'https://commonchemistry.cas.org/detail?cas_rn=13909-73-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl 2,3,4-trimethoxyphenyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13909-73-4', 'https://commonchemistry.cas.org/detail?cas_rn=13909-73-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 68811', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13909-73-4', 'https://commonchemistry.cas.org/detail?cas_rn=13909-73-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tri-<em>O</em>-methylgallacetophenone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13909-73-4', 'https://commonchemistry.cas.org/detail?cas_rn=13909-73-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2',3',4'-trimethoxyacetophenone\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=13909-73-4; added Common Chemistry CAS names as altLabel: 1-(2,3,4-Trimethoxyphenyl)ethan-1-one, 1-(2,3,4-Trimethoxyphenyl)ethanone, 2′,3′,4′-Trimethoxyacetophenone, Acetophenone, 2′,3′,4′-trimethoxy-, Ethanone, 1-(2,3,4-trimethoxyphenyl)-, Methyl 2,3,4-trimethoxyphenyl ketone, NSC 68811, Tri-<em>O</em>-methylgallacetophenone; object_uuid=fo-5e58319d4da550d2
`cas_match_labels`	`None`	`{'13909-73-4': 'exactMatch'}`	group_key=2',3',4'-trimethoxyacetophenone\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'13909-73-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5e58319d4da550d2: {'13909-73-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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