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Diethyl Fumarate

UUID 57dcb029-20d0-4bdc-b615-a58bd22cc4d8
Flow Object IDfo-8af5fc0cccf65369
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 623-91-6
EC Numbers 210-819-7
prefLabel
Language Value Provenance
en Diethyl Fumarate
altLabel ⓘ
Language Value Provenance
en diethyl (2E)-but-2-enedioate
en fumaric acid diethyl ester
en (2<em>E</em>)-2-Butenedioic acid diethyl ester
en (<em>E</em>)-But-2-enedioic acid diethyl ester
en 2-Butenedioic acid (2<em>E</em>)-, 1,4-diethyl ester
en 2-Butenedioic acid (2<em>E</em>)-, diethyl ester
en 2-Butenedioic acid (<em>E</em>)-, diethyl ester
en Diethyl (E)-but-2-enedioate
en Diethyl fumaric acid ester
en Ethyl fumarate
en Fumaric acid, diethyl ester
en NSC 20954
Definitions
Language Value Provenance
en A dieter obtained by the formal condensation of fumaric acid with ethanol.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey IEPRKVQEAMIZSS-AATRIKPKSA-N
InChI InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+
IUPAC name (E)-2-butenedioic acid diethyl ester, (E)-but-2-enedioic acid diethyl ester, diethyl (E)-but-2-enedioate
Molecular formula C8H12O4
Molecular mass 172.18
Monoisotopic mass 172.07356
SMILES CCOC(=O)/C=C/C(=O)OCC, CCOC(=O)C=CC(=O)OCC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 57dcb029-20d0-4bdc-b615-a58bd22cc4d8 diethyl fumarate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 diethyl fumarate 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=diethylfumarate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=623-91-6; added Common Chemistry CAS names as altLabel: (2<em>E</em>)-2-Butenedioic acid diethyl ester, (<em>E</em>)-But-2-enedioic acid diethyl ester, 2-Butenedioic acid (2<em>E</em>)-, 1,4-diethyl ester, 2-Butenedioic acid (2<em>E</em>)-, diethyl ester, 2-Butenedioic acid (<em>E</em>)-, diethyl ester, Diethyl (E)-but-2-enedioate, Diethyl fumaric acid ester, Ethyl fumarate, Fumaric acid, diethyl ester, NSC 20954; object_uuid=fo-8af5fc0cccf65369
cas_match_labels 1 — consensus_match group_key=diethylfumarate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'623-91-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8af5fc0cccf65369: {'623-91-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'diethyl (2E)-but-2-enedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diethyl (2E)-but-2-enedioate', 'http://purl.obolibrary.org/obo/CHEBI_87388', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'fumaric acid diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:fumaric acid diethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_87388', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'diethyl (2E)-but-2-enedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diethyl (2E)-but-2-enedioate', 'http://purl.obolibrary.org/obo/CHEBI_87388', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'fumaric acid diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:fumaric acid diethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_87388', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(2<em>E</em>)-2-Butenedioic acid diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:623-91-6', 'https://commonchemistry.cas.org/detail?cas_rn=623-91-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>E</em>)-But-2-enedioic acid diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:623-91-6', 'https://commonchemistry.cas.org/detail?cas_rn=623-91-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Butenedioic acid (2<em>E</em>)-, 1,4-diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:623-91-6', 'https://commonchemistry.cas.org/detail?cas_rn=623-91-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Butenedioic acid (2<em>E</em>)-, diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:623-91-6', 'https://commonchemistry.cas.org/detail?cas_rn=623-91-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Butenedioic acid (<em>E</em>)-, diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:623-91-6', 'https://commonchemistry.cas.org/detail?cas_rn=623-91-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diethyl (E)-but-2-enedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:623-91-6', 'https://commonchemistry.cas.org/detail?cas_rn=623-91-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diethyl fumaric acid ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:623-91-6', 'https://commonchemistry.cas.org/detail?cas_rn=623-91-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl fumarate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:623-91-6', 'https://commonchemistry.cas.org/detail?cas_rn=623-91-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fumaric acid, diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:623-91-6', 'https://commonchemistry.cas.org/detail?cas_rn=623-91-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 20954', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:623-91-6', 'https://commonchemistry.cas.org/detail?cas_rn=623-91-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=diethylfumarate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=623-91-6; added Common Chemistry CAS names as altLabel: (2<em>E</em>)-2-Butenedioic acid diethyl ester, (<em>E</em>)-But-2-enedioic acid diethyl ester, 2-Butenedioic acid (2<em>E</em>)-, 1,4-diethyl ester, 2-Butenedioic acid (2<em>E</em>)-, diethyl ester, 2-Butenedioic acid (<em>E</em>)-, diethyl ester, Diethyl (E)-but-2-enedioate, Diethyl fumaric acid ester, Ethyl fumarate, Fumaric acid, diethyl ester, NSC 20954; object_uuid=fo-8af5fc0cccf65369
cas_match_labels None {'623-91-6': 'exactMatch'} group_key=diethylfumarate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'623-91-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8af5fc0cccf65369: {'623-91-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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