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Tert-butyl acetoacetate

UUID 68ef6979-09a3-4120-b29d-7e6064a8dc51
Deprecated yes
Replaced By 39a5ea22-20d4-4b78-aff1-70f17d420c5d
Flow Object IDfo-d6fbad27f1bd8104
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 1694-31-1
EC Numbers 216-904-5
prefLabel
Language Value Provenance
en Tert-butyl acetoacetate
altLabel
Language Value Provenance
en 1,1-Dimethylethyl acetoacetate
en 3-Oxobutanoic acid 1,1-dimethylethyl ester
en 3-Oxobutyric acid <em>tert</em>-butyl ester
en <em>tert</em>-Butyl 3-oxobutanoate
en <em>tert</em>-Butyl 3-oxobutyrate
en <em>tert</em>-Butyl acetoacetate
en <em>tert</em>-Butyl acetylacetate
en <em>tert</em>-Butyl acetylacetonate
en Acetoacetic acid, <em>tert</em>-butyl ester
en Lonza TBAA
en NSC 42869
en Butanoic Acid, 3-oxo-, 1,1-dimethylethyl Ester
References
Shared Properties
Predicate Value
InChIKey JKUYRAMKJLMYLO-UHFFFAOYSA-N
InChI InChI=1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3
IUPAC name 3-ketobutyric acid tert-butyl ester, 3-oxobutanoic acid tert-butyl ester, tert-butyl 3-oxidanylidenebutanoate, tert-butyl 3-oxobutanoate
Molecular formula C8H14O3
SMILES CC(=O)CC(=O)OC(C)(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 68ef6979-09a3-4120-b29d-7e6064a8dc51 butanoic acid, 3-oxo-, 1,1-dimethylethyl ester

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=butanoicacid,3-oxo-,1,1-dimethylethylester||dimension=Environmental > media=Water > water_body=Ocean; cas=1694-31-1; added Common Chemistry CAS names as altLabel: 1,1-Dimethylethyl acetoacetate, 3-Oxobutanoic acid 1,1-dimethylethyl ester, 3-Oxobutyric acid <em>tert</em>-butyl ester, <em>tert</em>-Butyl 3-oxobutanoate, <em>tert</em>-Butyl 3-oxobutyrate, <em>tert</em>-Butyl acetoacetate, <em>tert</em>-Butyl acetylacetate, <em>tert</em>-Butyl acetylacetonate, Acetoacetic acid, <em>tert</em>-butyl ester, Lonza TBAA, NSC 42869; object_uuid=fo-d6fbad27f1bd8104
cas_match_labels 1 consensus_match group_key=butanoicacid,3-oxo-,1,1-dimethylethylester||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1694-31-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d6fbad27f1bd8104: {'1694-31-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,1-Dimethylethyl acetoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1694-31-1', 'https://commonchemistry.cas.org/detail?cas_rn=1694-31-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Oxobutanoic acid 1,1-dimethylethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1694-31-1', 'https://commonchemistry.cas.org/detail?cas_rn=1694-31-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Oxobutyric acid <em>tert</em>-butyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1694-31-1', 'https://commonchemistry.cas.org/detail?cas_rn=1694-31-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>tert</em>-Butyl 3-oxobutanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1694-31-1', 'https://commonchemistry.cas.org/detail?cas_rn=1694-31-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>tert</em>-Butyl 3-oxobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1694-31-1', 'https://commonchemistry.cas.org/detail?cas_rn=1694-31-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>tert</em>-Butyl acetoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1694-31-1', 'https://commonchemistry.cas.org/detail?cas_rn=1694-31-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>tert</em>-Butyl acetylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1694-31-1', 'https://commonchemistry.cas.org/detail?cas_rn=1694-31-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>tert</em>-Butyl acetylacetonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1694-31-1', 'https://commonchemistry.cas.org/detail?cas_rn=1694-31-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetoacetic acid, <em>tert</em>-butyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1694-31-1', 'https://commonchemistry.cas.org/detail?cas_rn=1694-31-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Lonza TBAA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1694-31-1', 'https://commonchemistry.cas.org/detail?cas_rn=1694-31-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 42869', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1694-31-1', 'https://commonchemistry.cas.org/detail?cas_rn=1694-31-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=butanoicacid,3-oxo-,1,1-dimethylethylester||dimension=Environmental > media=Water > water_body=Ocean; cas=1694-31-1; added Common Chemistry CAS names as altLabel: 1,1-Dimethylethyl acetoacetate, 3-Oxobutanoic acid 1,1-dimethylethyl ester, 3-Oxobutyric acid <em>tert</em>-butyl ester, <em>tert</em>-Butyl 3-oxobutanoate, <em>tert</em>-Butyl 3-oxobutyrate, <em>tert</em>-Butyl acetoacetate, <em>tert</em>-Butyl acetylacetate, <em>tert</em>-Butyl acetylacetonate, Acetoacetic acid, <em>tert</em>-butyl ester, Lonza TBAA, NSC 42869; object_uuid=fo-d6fbad27f1bd8104
cas_match_labels None {'1694-31-1': 'exactMatch'} group_key=butanoicacid,3-oxo-,1,1-dimethylethylester||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1694-31-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d6fbad27f1bd8104: {'1694-31-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:39a5ea22-20d4-4b78-aff1-70f17d420c5d",
  "is_replaced_by_uuid": "39a5ea22-20d4-4b78-aff1-70f17d420c5d",
  "flow_object_id": "fo-d6fbad27f1bd8104"
}