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Ethyl Acetoacetate

UUID 38860ad7-64e8-42a7-b6f4-bdd4f8e24c81
Flow Object IDfo-7e288677e7e1ca2c
Source EF 3.1
Context Environmental → Air → Ground level → Rural (<1000 people/square mile)
CAS Numbers 141-97-9
EC Numbers 205-516-1
prefLabel
Language Value Provenance
en Ethyl Acetoacetate
altLabel ⓘ
Language Value Provenance
en 1-ethoxybutane-1,3-dione
en 3-ketobutyric acid ethyl ester
en 3-oxobutanoic acid ethyl ester
en 3-oxobutyric acid ethyl ester
en acetoacetic acid ethyl ester
en active acetyl acetate
en diacetic ether
en ethyl 3-oxidanylidenebutanoate
en ethyl 3-oxobutanoate
en ethyl 3-oxobutyrate
en ethyl acetyl acetate
en ethyl acetylacetate
en ethyl acetylacetonate
en ethyl beta-ketobutyrate
en Acetoacetic acid, ethyl ester
en Acetylacetic acid ethyl ester
en Butanoic acid, 3-oxo-, ethyl ester
en EAA
en Ethyl 2-acetoacetate
en Ethyl 2-methyl-3-oxopropionate
en Ethyl 3-ketobutyrate
en Ethyl acetonecarboxylate
en NSC 37390
en NSC 8657
Definitions
Language Value Provenance
en An ethyl ester resulting from the formal condensation of the carboxy group of acetoacetic acid with ethanol.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey XYIBRDXRRQCHLP-UHFFFAOYSA-N
InChI InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
IUPAC name 3-ketobutyric acid ethyl ester, 3-oxobutanoic acid ethyl ester, ethyl 3-oxidanylidenebutanoate, ethyl 3-oxobutanoate
Molecular formula C6H10O3
Molecular mass 130.143
Monoisotopic mass 130.06299
SMILES CCOC(=O)CC(=O)C, CCOC(=O)CC(C)=O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 38860ad7-64e8-42a7-b6f4-bdd4f8e24c81 ethyl acetoacetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 ethyl acetoacetate Emissions/Emissions to air/Emissions to air, unspecified (long-term) 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=ethylacetoacetate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=141-97-9; added Common Chemistry CAS names as altLabel: Acetoacetic acid, ethyl ester, Acetylacetic acid ethyl ester, Butanoic acid, 3-oxo-, ethyl ester, EAA, Ethyl 2-acetoacetate, Ethyl 2-methyl-3-oxopropionate, Ethyl 3-ketobutyrate, Ethyl acetonecarboxylate, NSC 37390, NSC 8657; object_uuid=fo-7e288677e7e1ca2c
cas_match_labels 1 — consensus_match group_key=ethylacetoacetate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'141-97-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7e288677e7e1ca2c: {'141-97-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityRural (<1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1-ethoxybutane-1,3-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-ethoxybutane-1,3-dione', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-ketobutyric acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-ketobutyric acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-oxobutanoic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-oxobutanoic acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-oxobutyric acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-oxobutyric acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'acetoacetic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:acetoacetic acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'active acetyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:active acetyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'diacetic ether', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diacetic ether', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl 3-oxidanylidenebutanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl 3-oxidanylidenebutanoate', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl 3-oxobutanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl 3-oxobutanoate', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl 3-oxobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl 3-oxobutyrate', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl acetyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl acetyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl acetylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl acetylacetate', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl acetylacetonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl acetylacetonate', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl beta-ketobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl beta-ketobutyrate', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1-ethoxybutane-1,3-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-ethoxybutane-1,3-dione', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-ketobutyric acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-ketobutyric acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-oxobutanoic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-oxobutanoic acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-oxobutyric acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-oxobutyric acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'acetoacetic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:acetoacetic acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'active acetyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:active acetyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'diacetic ether', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diacetic ether', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl 3-oxidanylidenebutanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl 3-oxidanylidenebutanoate', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl 3-oxobutanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl 3-oxobutanoate', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl 3-oxobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl 3-oxobutyrate', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl acetyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl acetyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl acetylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl acetylacetate', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl acetylacetonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl acetylacetonate', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl beta-ketobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl beta-ketobutyrate', 'http://purl.obolibrary.org/obo/CHEBI_4893', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Acetoacetic acid, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-97-9', 'https://commonchemistry.cas.org/detail?cas_rn=141-97-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetylacetic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-97-9', 'https://commonchemistry.cas.org/detail?cas_rn=141-97-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanoic acid, 3-oxo-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-97-9', 'https://commonchemistry.cas.org/detail?cas_rn=141-97-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'EAA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-97-9', 'https://commonchemistry.cas.org/detail?cas_rn=141-97-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 2-acetoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-97-9', 'https://commonchemistry.cas.org/detail?cas_rn=141-97-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 2-methyl-3-oxopropionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-97-9', 'https://commonchemistry.cas.org/detail?cas_rn=141-97-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 3-ketobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-97-9', 'https://commonchemistry.cas.org/detail?cas_rn=141-97-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl acetonecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-97-9', 'https://commonchemistry.cas.org/detail?cas_rn=141-97-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 37390', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-97-9', 'https://commonchemistry.cas.org/detail?cas_rn=141-97-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 8657', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-97-9', 'https://commonchemistry.cas.org/detail?cas_rn=141-97-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=ethylacetoacetate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=141-97-9; added Common Chemistry CAS names as altLabel: Acetoacetic acid, ethyl ester, Acetylacetic acid ethyl ester, Butanoic acid, 3-oxo-, ethyl ester, EAA, Ethyl 2-acetoacetate, Ethyl 2-methyl-3-oxopropionate, Ethyl 3-ketobutyrate, Ethyl acetonecarboxylate, NSC 37390, NSC 8657; object_uuid=fo-7e288677e7e1ca2c
cas_match_labels None {'141-97-9': 'exactMatch'} group_key=ethylacetoacetate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'141-97-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7e288677e7e1ca2c: {'141-97-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "general_comment": null,
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  "lcia_methods": [],
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