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Ethyl 2-chloroacetoacetate

UUID 1d3f2e19-b163-4f78-a30f-07006738fbcb
Flow Object IDfo-a54eaf250211ed8f
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 609-15-4
EC Numbers 210-180-4
prefLabel
Language Value Provenance
en Ethyl 2-chloroacetoacetate
altLabel ⓘ
Language Value Provenance
en 2-Chloro-3-oxobutanoic acid ethyl ester
en 2-Chloro-3-oxobutyric acid ethyl ester
en 2-Chloroacetoacetic acid ethyl ester
en A 21960
en Acetoacetic acid, 2-chloro-, ethyl ester
en Butanoic acid, 2-chloro-3-oxo-, ethyl ester
en Ethyl 2-chloracetoacetate
en Ethyl 2-chloro-3-oxobutanoate
en Ethyl 2-chloro-3-oxobutyrate
en Ethyl α-chloroacetoacetate
en Ethyl α-chloroacetylacetate
en NSC 78426
References
Shared Properties
Predicate Value
InChIKey OHLRLMWUFVDREV-UHFFFAOYSA-N, RDULEYWUGKOCMR-RXMQYKEDSA-N, RDULEYWUGKOCMR-UHFFFAOYSA-N, RDULEYWUGKOCMR-YFKPBYRVSA-N
InChI InChI=1S/C6H9ClO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3, InChI=1S/C6H9ClO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3, InChI=1S/C6H9ClO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3/t5-/m0/s1, InChI=1S/C6H9ClO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3/t5-/m1/s1
IUPAC name (2R)-2-chloro-3-keto-butyric acid ethyl ester, (2R)-2-chloro-3-oxobutanoic acid ethyl ester, (2S)-2-chloro-3-keto-butyric acid ethyl ester, (2S)-2-chloro-3-oxobutanoic acid ethyl ester, 2-chloro-3-keto-butyric acid ethyl ester, 2-chloro-3-oxobutanoic acid ethyl ester, 4-chloro-3-keto-butyric acid ethyl ester, 4-chloro-3-oxobutanoic acid ethyl ester, ethyl (2R)-2-chloranyl-3-oxidanylidene-butanoate, ethyl (2R)-2-chloro-3-oxo-butanoate, ethyl (2R)-2-chloro-3-oxobutanoate, ethyl (2S)-2-chloranyl-3-oxidanylidene-butanoate, ethyl (2S)-2-chloro-3-oxo-butanoate, ethyl (2S)-2-chloro-3-oxobutanoate, ethyl 2-chloranyl-3-oxidanylidene-butanoate, ethyl 2-chloro-3-oxo-butanoate, ethyl 2-chloro-3-oxobutanoate, ethyl 4-chloranyl-3-oxidanylidene-butanoate, ethyl 4-chloro-3-oxo-butanoate, ethyl 4-chloro-3-oxobutanoate
Molecular formula C6H9ClO3
SMILES CCOC(=O)C(C(=O)C)Cl, CCOC(=O)CC(=O)CCl, CCOC(=O)[C@@H](C(=O)C)Cl, CCOC(=O)[C@H](C(=O)C)Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 1d3f2e19-b163-4f78-a30f-07006738fbcb ethyl 2-chloroacetoacetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 ethyl 2-chloroacetoacetate Emissions/Emissions to water/Emissions to water, unspecified 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=ethyl2-chloroacetoacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=609-15-4; added Common Chemistry CAS names as altLabel: 2-Chloro-3-oxobutanoic acid ethyl ester, 2-Chloro-3-oxobutyric acid ethyl ester, 2-Chloroacetoacetic acid ethyl ester, A 21960, Acetoacetic acid, 2-chloro-, ethyl ester, Butanoic acid, 2-chloro-3-oxo-, ethyl ester, Ethyl 2-chloracetoacetate, Ethyl 2-chloro-3-oxobutanoate, Ethyl 2-chloro-3-oxobutyrate, Ethyl α-chloroacetoacetate, Ethyl α-chloroacetylacetate, NSC 78426; object_uuid=fo-a54eaf250211ed8f
cas_match_labels 1 — consensus_match group_key=ethyl2-chloroacetoacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'609-15-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a54eaf250211ed8f: {'609-15-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2-Chloro-3-oxobutanoic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:609-15-4', 'https://commonchemistry.cas.org/detail?cas_rn=609-15-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Chloro-3-oxobutyric acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:609-15-4', 'https://commonchemistry.cas.org/detail?cas_rn=609-15-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Chloroacetoacetic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:609-15-4', 'https://commonchemistry.cas.org/detail?cas_rn=609-15-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'A 21960', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:609-15-4', 'https://commonchemistry.cas.org/detail?cas_rn=609-15-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetoacetic acid, 2-chloro-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:609-15-4', 'https://commonchemistry.cas.org/detail?cas_rn=609-15-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanoic acid, 2-chloro-3-oxo-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:609-15-4', 'https://commonchemistry.cas.org/detail?cas_rn=609-15-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 2-chloracetoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:609-15-4', 'https://commonchemistry.cas.org/detail?cas_rn=609-15-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 2-chloro-3-oxobutanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:609-15-4', 'https://commonchemistry.cas.org/detail?cas_rn=609-15-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 2-chloro-3-oxobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:609-15-4', 'https://commonchemistry.cas.org/detail?cas_rn=609-15-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl α-chloroacetoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:609-15-4', 'https://commonchemistry.cas.org/detail?cas_rn=609-15-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl α-chloroacetylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:609-15-4', 'https://commonchemistry.cas.org/detail?cas_rn=609-15-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 78426', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:609-15-4', 'https://commonchemistry.cas.org/detail?cas_rn=609-15-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=ethyl2-chloroacetoacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=609-15-4; added Common Chemistry CAS names as altLabel: 2-Chloro-3-oxobutanoic acid ethyl ester, 2-Chloro-3-oxobutyric acid ethyl ester, 2-Chloroacetoacetic acid ethyl ester, A 21960, Acetoacetic acid, 2-chloro-, ethyl ester, Butanoic acid, 2-chloro-3-oxo-, ethyl ester, Ethyl 2-chloracetoacetate, Ethyl 2-chloro-3-oxobutanoate, Ethyl 2-chloro-3-oxobutyrate, Ethyl α-chloroacetoacetate, Ethyl α-chloroacetylacetate, NSC 78426; object_uuid=fo-a54eaf250211ed8f
cas_match_labels None {'609-15-4': 'exactMatch'} group_key=ethyl2-chloroacetoacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'609-15-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a54eaf250211ed8f: {'609-15-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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