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Diethyl Malonate

UUID f61b5f08-0d21-4a14-b322-c165571412c6
Flow Object IDfo-11e8e5a6a1891af3
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 105-53-3
EC Numbers 203-305-9
prefLabel
Language Value Provenance
en Diethyl Malonate
altLabel
Language Value Provenance
en diethyl propanedioate
en Carbethoxyacetic ester
en Dicarbethoxymethane
en Diethyl propane-1,3-dioate
en Ethyl 3-ethoxy-3-oxopropanoate
en Ethyl malonate
en Malonate diethyl ester
en Malonic acid, diethyl ester
en Methanedicarboxylic acid diethyl ester
en NSC 136903
en NSC 8864
en Propanedioic acid, 1,3-diethyl ester
en Propanedioic acid, diethyl ester
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey IYXGSMUGOJNHAZ-UHFFFAOYSA-N
InChI InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
IUPAC name diethyl propanedioate, malonic acid diethyl ester, propanedioic acid diethyl ester
Molecular formula C7H12O4
Molecular mass 160.169
Monoisotopic mass 160.07356
SMILES CCOC(=O)CC(=O)OCC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 f61b5f08-0d21-4a14-b322-c165571412c6 diethyl malonate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 diethyl malonate Emissions/Emissions to water/Emissions to fresh water 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=diethylmalonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=105-53-3; added Common Chemistry CAS names as altLabel: Carbethoxyacetic ester, Dicarbethoxymethane, Diethyl propane-1,3-dioate, Ethyl 3-ethoxy-3-oxopropanoate, Ethyl malonate, Malonate diethyl ester, Malonic acid, diethyl ester, Methanedicarboxylic acid diethyl ester, NSC 136903, NSC 8864, Propanedioic acid, 1,3-diethyl ester, Propanedioic acid, diethyl ester; object_uuid=fo-11e8e5a6a1891af3
cas_match_labels 1 consensus_match group_key=diethylmalonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'105-53-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-11e8e5a6a1891af3: {'105-53-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'diethyl propanedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diethyl propanedioate', 'http://purl.obolibrary.org/obo/CHEBI_167785', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'diethyl propanedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diethyl propanedioate', 'http://purl.obolibrary.org/obo/CHEBI_167785', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Carbethoxyacetic ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-53-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-53-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dicarbethoxymethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-53-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-53-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diethyl propane-1,3-dioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-53-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-53-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 3-ethoxy-3-oxopropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-53-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-53-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl malonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-53-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-53-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Malonate diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-53-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-53-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Malonic acid, diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-53-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-53-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methanedicarboxylic acid diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-53-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-53-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 136903', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-53-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-53-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 8864', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-53-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-53-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanedioic acid, 1,3-diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-53-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-53-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanedioic acid, diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-53-3', 'https://commonchemistry.cas.org/detail?cas_rn=105-53-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=diethylmalonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=105-53-3; added Common Chemistry CAS names as altLabel: Carbethoxyacetic ester, Dicarbethoxymethane, Diethyl propane-1,3-dioate, Ethyl 3-ethoxy-3-oxopropanoate, Ethyl malonate, Malonate diethyl ester, Malonic acid, diethyl ester, Methanedicarboxylic acid diethyl ester, NSC 136903, NSC 8864, Propanedioic acid, 1,3-diethyl ester, Propanedioic acid, diethyl ester; object_uuid=fo-11e8e5a6a1891af3
cas_match_labels None {'105-53-3': 'exactMatch'} group_key=diethylmalonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'105-53-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-11e8e5a6a1891af3: {'105-53-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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