Allyl 3-oxobutanoate

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UUID f31c8d71-f086-49c9-a16f-c37abe42a4c9

Flow Object ID fo-5f9bb8d2d212e182

Source EF 3.1

Context Environmental → Air → Aircraft cruise height

CAS Numbers 1118-84-9

EC Numbers 214-269-9

prefLabel

Language	Value	Provenance
`en`	`Allyl 3-oxobutanoate`

altLabel ⓘ

Language	Value	Provenance
`en`	`3-Oxo-butyric acid allyl ester`
`en`	`Acetoacetic acid, allyl ester`
`en`	`Allyl acetoacetate`
`en`	`Allyl acetylacetate`
`en`	`Butanoic acid, 3-oxo-, 2-propen-1-yl ester`
`en`	`Butanoic acid, 3-oxo-, 2-propenyl ester`
`en`	`NSC 24280`

References

Shared Properties

Predicate	Value
InChIKey	`AXLMPTNTPOWPLT-UHFFFAOYSA-N, DZYQWKYWOLITAY-WCQYABFASA-N, HORZDLBFIKOOEY-UHFFFAOYSA-M, RMPJKQRLTSBTHB-UHFFFAOYSA-M`
InChI	`InChI=1S/C13H13NO2/c15-11-6-4-8-3-5-10-9(2-1-7-14-10)12(8)13(11)16/h1-3,5,7,11,13,15-16H,4,6H2/t11-,13+/m0/s1, InChI=1S/C7H10O3/c1-2-3-4-6(8)5-7(9)10/h2H,1,3-5H2,(H,9,10)/p-1, InChI=1S/C7H10O3/c1-3-4-10-7(9)5-6(2)8/h3H,1,4-5H2,2H3, InChI=1S/C7H10O3/c1-3-4-6(5(2)8)7(9)10/h3,6H,1,4H2,2H3,(H,9,10)/p-1`
IUPAC name	`(9S,10S)-7,8,9,10-tetrahydrobenzo[f]quinoline-9,10-diol, 2-acetyl-4-pentenoate, 2-acetylpent-4-enoate, 2-ethanoylpent-4-enoate, 3-ketobutyric acid allyl ester, 3-ketohept-6-enoate, 3-oxidanylidenehept-6-enoate, 3-oxo-6-heptenoate, 3-oxobutanoic acid prop-2-enyl ester, 3-oxohept-6-enoate, allyl 3-oxobutanoate, prop-2-enyl 3-oxidanylidenebutanoate, prop-2-enyl 3-oxobutanoate`
Molecular formula	`C13H13NO2, C7H10O3, C7H9O3-`
SMILES	`C1CC2=C(C(C1O)O)C3=C(C=C2)N=CC=C3, C1CC2=C([C@@H]([C@H]1O)O)C3=C(C=C2)N=CC=C3, C=CCCC(=O)CC(=O)[O-], CC(=O)C(CC=C)C(=O)[O-], CC(=O)CC(=O)OCC=C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`f31c8d71-f086-49c9-a16f-c37abe42a4c9`	allyl 3-oxobutanoate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	allyl 3-oxobutanoate	Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere	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=allyl3-oxobutanoate\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=1118-84-9; added Common Chemistry CAS names as altLabel: 3-Oxo-butyric acid allyl ester, Acetoacetic acid, allyl ester, Allyl acetoacetate, Allyl acetylacetate, Butanoic acid, 3-oxo-, 2-propen-1-yl ester, Butanoic acid, 3-oxo-, 2-propenyl ester, NSC 24280; object_uuid=fo-5f9bb8d2d212e182
`cas_match_labels`	1	`—`	consensus_match	group_key=allyl3-oxobutanoate\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1118-84-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5f9bb8d2d212e182: {'1118-84-9': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Aircraft cruise height

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '3-Oxo-butyric acid allyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1118-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=1118-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetoacetic acid, allyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1118-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=1118-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Allyl acetoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1118-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=1118-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Allyl acetylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1118-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=1118-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanoic acid, 3-oxo-, 2-propen-1-yl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1118-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=1118-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanoic acid, 3-oxo-, 2-propenyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1118-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=1118-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 24280', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1118-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=1118-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=allyl3-oxobutanoate\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=1118-84-9; added Common Chemistry CAS names as altLabel: 3-Oxo-butyric acid allyl ester, Acetoacetic acid, allyl ester, Allyl acetoacetate, Allyl acetylacetate, Butanoic acid, 3-oxo-, 2-propen-1-yl ester, Butanoic acid, 3-oxo-, 2-propenyl ester, NSC 24280; object_uuid=fo-5f9bb8d2d212e182
`cas_match_labels`	`None`	`{'1118-84-9': 'exactMatch'}`	group_key=allyl3-oxobutanoate\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1118-84-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5f9bb8d2d212e182: {'1118-84-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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