Methyl Isonicotinate

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UUID 599ec217-bb7c-4a74-8c4c-b350f64779fe

Flow Object ID fo-cc1b4aba55e9f1a6

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 2459-09-8

EC Numbers 219-546-8

prefLabel

Language	Value	Provenance
`en`	`Methyl Isonicotinate`

altLabel ⓘ

Language	Value	Provenance
`en`	`4-Carbomethoxypyridine`
`en`	`4-Methoxycarbonylpyridine`
`en`	`4-Pyridinecarboxylic acid, methyl ester`
`en`	`Isonicotinic acid, methyl ester`
`en`	`Methyl 4-pyridinecarboxylate`
`en`	`NSC 18257`

References

Shared Properties

Predicate	Value
InChIKey	`OLXYLDUSSBULGU-UHFFFAOYSA-N, PSPKFDYTJSJRFE-UHFFFAOYSA-N, QITIEADGFBVLCV-UHFFFAOYSA-N, RZVWBASHHLFBJF-UHFFFAOYSA-N`
InChI	`InChI=1S/C7H13NO2/c1-10-7(9)6-2-4-8-5-3-6/h6,8H,2-5H2,1H3, InChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3, InChI=1S/C7H7NO2/c1-5(9)6-2-7(10)4-8-3-6/h2-4,10H,1H3, InChI=1S/C7H7NO2/c1-8-4-2-6(3-5-8)7(9)10/h2-5H,1H3`
IUPAC name	`1-(5-hydroxy-3-pyridinyl)ethanone, 1-(5-hydroxy-3-pyridyl)ethanone, 1-(5-oxidanyl-3-pyridinyl)ethanone, 1-methyl-4-pyridin-1-iumcarboxylate, 1-methylpyridin-1-ium-4-carboxylate, 4-piperidinecarboxylic acid methyl ester, 4-pyridinecarboxylic acid methyl ester, isonicotinic acid methyl ester, isonipecotic acid methyl ester, methyl piperidine-4-carboxylate, methyl pyridine-4-carboxylate`
Molecular formula	`C7H13NO2, C7H7NO2`
SMILES	`CC(=O)C1=CC(=CN=C1)O, COC(=O)C1=CC=NC=C1, COC(=O)C1CCNCC1, C[N+]1=CC=C(C=C1)C(=O)[O-]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`599ec217-bb7c-4a74-8c4c-b350f64779fe`	methyl isonicotinate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	methyl isonicotinate	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=methylisonicotinate\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=2459-09-8; added Common Chemistry CAS names as altLabel: 4-Carbomethoxypyridine, 4-Methoxycarbonylpyridine, 4-Pyridinecarboxylic acid, methyl ester, Isonicotinic acid, methyl ester, Methyl 4-pyridinecarboxylate, NSC 18257; object_uuid=fo-cc1b4aba55e9f1a6
`cas_match_labels`	1	`—`	consensus_match	group_key=methylisonicotinate\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2459-09-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cc1b4aba55e9f1a6: {'2459-09-8': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
indoor	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '4-Carbomethoxypyridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2459-09-8', 'https://commonchemistry.cas.org/detail?cas_rn=2459-09-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Methoxycarbonylpyridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2459-09-8', 'https://commonchemistry.cas.org/detail?cas_rn=2459-09-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Pyridinecarboxylic acid, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2459-09-8', 'https://commonchemistry.cas.org/detail?cas_rn=2459-09-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isonicotinic acid, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2459-09-8', 'https://commonchemistry.cas.org/detail?cas_rn=2459-09-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl 4-pyridinecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2459-09-8', 'https://commonchemistry.cas.org/detail?cas_rn=2459-09-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 18257', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2459-09-8', 'https://commonchemistry.cas.org/detail?cas_rn=2459-09-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=methylisonicotinate\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=2459-09-8; added Common Chemistry CAS names as altLabel: 4-Carbomethoxypyridine, 4-Methoxycarbonylpyridine, 4-Pyridinecarboxylic acid, methyl ester, Isonicotinic acid, methyl ester, Methyl 4-pyridinecarboxylate, NSC 18257; object_uuid=fo-cc1b4aba55e9f1a6
`cas_match_labels`	`None`	`{'2459-09-8': 'exactMatch'}`	group_key=methylisonicotinate\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2459-09-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cc1b4aba55e9f1a6: {'2459-09-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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