Ethyl 4,4,4-trifluoro-3-oxobutanoate

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Ethyl 4,4,4-trifluoro-3-oxobutanoate

UUID 7e2006ce-a3b3-434e-a4d3-cfd87241b5cd

Flow Object ID fo-a58ab5391606ab90

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 372-31-6

EC Numbers 206-750-7

prefLabel

Language	Value	Provenance
`en`	`Ethyl 4,4,4-trifluoro-3-oxobutanoate`

altLabel ⓘ

Language	Value	Provenance
`en`	`1-Ethoxy-4,4,4-trifluorobutane-1,3-dione`
`en`	`4,4,4-Trifluoro-3-oxo-butyric acid ethyl ester`
`en`	`4,4,4-Trifluoro-3-oxobutanoic acid ethyl ester`
`en`	`4,4,4-Trifluoroacetoacetic acid ethyl ester`
`en`	`Acetoacetic acid, 4,4,4-trifluoro-, ethyl ester`
`en`	`Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester`
`en`	`Ethyl (trifluoroacetyl)acetate`
`en`	`Ethyl 3-oxo-4,4,4-trifluorobutanoate`
`en`	`Ethyl 4,4,4-trifloro-3-oxo-butanoate`
`en`	`Ethyl 4,4,4-trifluoro-3-oxobutyrate`
`en`	`Ethyl 4,4,4-trifluoroacetoacetate`
`en`	`Ethyl 4,4,4-trifluoroacetylacetonate`
`en`	`Ethyl trifluoroacetoacetate`
`en`	`Ethyl γ,γ,γ-trifluoroacetoacetate`
`en`	`Ethyl ω,ω,ω-trifluoroacetoacetate`
`en`	`NSC 42739`
`en`	`NSC 49750`

References

Shared Properties

Predicate	Value
InChIKey	`BBNGVMNBBLPZIR-UHFFFAOYSA-N, BWAYIPURRKWDHV-UHFFFAOYSA-N, OCJKUQIPRNZDTK-UHFFFAOYSA-N, XHAFNWJVGYDHPM-TUAOUCFPSA-N`
InChI	`InChI=1S/C14H27NO3/c1-5-10-9-15-11(6-7-16)8-12(10)13(17)18-14(2,3)4/h10-12,15-16H,5-9H2,1-4H3/t10-,11+,12-/m0/s1, InChI=1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3, InChI=1S/C6H7F3O3/c1-2-12-5(11)6(8,9)4(10)3-7/h2-3H2,1H3, InChI=1S/C7H6N2O2S/c10-12(11)7-4-2-1-3-6(7)8-5-9-12/h1-5H,(H,8,9)`
IUPAC name	(2S,4S,5R)-5-ethyl-2-(2-hydroxyethyl)-4-piperidinecarboxylic acid tert-butyl ester, (2S,4S,5R)-5-ethyl-2-(2-hydroxyethyl)isonipecotic acid tert-butyl ester, 2,2,4-trifluoro-3-keto-butyric acid ethyl ester, 2,2,4-trifluoro-3-oxobutanoic acid ethyl ester, 4,4,4-trifluoro-3-keto-butyric acid ethyl ester, 4,4,4-trifluoro-3-oxobutanoic acid ethyl ester, 4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide, ethyl 2,2,4-trifluoro-3-oxo-butanoate, ethyl 2,2,4-trifluoro-3-oxobutanoate, ethyl 2,2,4-tris(fluoranyl)-3-oxidanylidene-butanoate, ethyl 4,4,4-trifluoro-3-oxo-butanoate, ethyl 4,4,4-trifluoro-3-oxobutanoate, ethyl 4,4,4-tris(fluoranyl)-3-oxidanylidene-butanoate, tert-butyl (2S,4S,5R)-5-ethyl-2-(2-hydroxyethyl)piperidine-4-carboxylate
Molecular formula	`C14H27NO3, C6H7F3O3, C7H6N2O2S`
SMILES	`C1=CC=C2C(=C1)NC=NS2(=O)=O, CCC1CNC(CC1C(=O)OC(C)(C)C)CCO, CCOC(=O)C(C(=O)CF)(F)F, CCOC(=O)CC(=O)C(F)(F)F, CC[C@H]1CN[C@@H](C[C@@H]1C(=O)OC(C)(C)C)CCO`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`7e2006ce-a3b3-434e-a4d3-cfd87241b5cd`	ethyl 4,4,4-trifluoro-3-oxobutanoate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	ethyl 4,4,4-trifluoro-3-oxobutanoate	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=ethyl4,4,4-trifluoro-3-oxobutanoate\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=372-31-6; added Common Chemistry CAS names as altLabel: 1-Ethoxy-4,4,4-trifluorobutane-1,3-dione, 4,4,4-Trifluoro-3-oxo-butyric acid ethyl ester, 4,4,4-Trifluoro-3-oxobutanoic acid ethyl ester, 4,4,4-Trifluoroacetoacetic acid ethyl ester, Acetoacetic acid, 4,4,4-trifluoro-, ethyl ester, Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester, Ethyl (trifluoroacetyl)acetate, Ethyl 3-oxo-4,4,4-trifluorobutanoate, Ethyl 4,4,4-trifloro-3-oxo-butanoate, Ethyl 4,4,4-trifluoro-3-oxobutyrate, Ethyl 4,4,4-trifluoroacetoacetate, Ethyl 4,4,4-trifluoroacetylacetonate, Ethyl trifluoroacetoacetate, Ethyl γ,γ,γ-trifluoroacetoacetate, Ethyl ω,ω,ω-trifluoroacetoacetate, NSC 42739, NSC 49750; object_uuid=fo-a58ab5391606ab90
`cas_match_labels`	1	`—`	consensus_match	group_key=ethyl4,4,4-trifluoro-3-oxobutanoate\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'372-31-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a58ab5391606ab90: {'372-31-6': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
indoor	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1-Ethoxy-4,4,4-trifluorobutane-1,3-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:372-31-6', 'https://commonchemistry.cas.org/detail?cas_rn=372-31-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,4,4-Trifluoro-3-oxo-butyric acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:372-31-6', 'https://commonchemistry.cas.org/detail?cas_rn=372-31-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,4,4-Trifluoro-3-oxobutanoic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:372-31-6', 'https://commonchemistry.cas.org/detail?cas_rn=372-31-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,4,4-Trifluoroacetoacetic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:372-31-6', 'https://commonchemistry.cas.org/detail?cas_rn=372-31-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetoacetic acid, 4,4,4-trifluoro-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:372-31-6', 'https://commonchemistry.cas.org/detail?cas_rn=372-31-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:372-31-6', 'https://commonchemistry.cas.org/detail?cas_rn=372-31-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl (trifluoroacetyl)acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:372-31-6', 'https://commonchemistry.cas.org/detail?cas_rn=372-31-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 3-oxo-4,4,4-trifluorobutanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:372-31-6', 'https://commonchemistry.cas.org/detail?cas_rn=372-31-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 4,4,4-trifloro-3-oxo-butanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:372-31-6', 'https://commonchemistry.cas.org/detail?cas_rn=372-31-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 4,4,4-trifluoro-3-oxobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:372-31-6', 'https://commonchemistry.cas.org/detail?cas_rn=372-31-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 4,4,4-trifluoroacetoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:372-31-6', 'https://commonchemistry.cas.org/detail?cas_rn=372-31-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 4,4,4-trifluoroacetylacetonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:372-31-6', 'https://commonchemistry.cas.org/detail?cas_rn=372-31-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl trifluoroacetoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:372-31-6', 'https://commonchemistry.cas.org/detail?cas_rn=372-31-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl γ,γ,γ-trifluoroacetoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:372-31-6', 'https://commonchemistry.cas.org/detail?cas_rn=372-31-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl ω,ω,ω-trifluoroacetoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:372-31-6', 'https://commonchemistry.cas.org/detail?cas_rn=372-31-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 42739', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:372-31-6', 'https://commonchemistry.cas.org/detail?cas_rn=372-31-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 49750', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:372-31-6', 'https://commonchemistry.cas.org/detail?cas_rn=372-31-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=ethyl4,4,4-trifluoro-3-oxobutanoate\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=372-31-6; added Common Chemistry CAS names as altLabel: 1-Ethoxy-4,4,4-trifluorobutane-1,3-dione, 4,4,4-Trifluoro-3-oxo-butyric acid ethyl ester, 4,4,4-Trifluoro-3-oxobutanoic acid ethyl ester, 4,4,4-Trifluoroacetoacetic acid ethyl ester, Acetoacetic acid, 4,4,4-trifluoro-, ethyl ester, Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester, Ethyl (trifluoroacetyl)acetate, Ethyl 3-oxo-4,4,4-trifluorobutanoate, Ethyl 4,4,4-trifloro-3-oxo-butanoate, Ethyl 4,4,4-trifluoro-3-oxobutyrate, Ethyl 4,4,4-trifluoroacetoacetate, Ethyl 4,4,4-trifluoroacetylacetonate, Ethyl trifluoroacetoacetate, Ethyl γ,γ,γ-trifluoroacetoacetate, Ethyl ω,ω,ω-trifluoroacetoacetate, NSC 42739, NSC 49750; object_uuid=fo-a58ab5391606ab90
`cas_match_labels`	`None`	`{'372-31-6': 'exactMatch'}`	group_key=ethyl4,4,4-trifluoro-3-oxobutanoate\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'372-31-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a58ab5391606ab90: {'372-31-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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