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Diethyl Maleate

UUID cfb780a4-ebbb-4f4b-a1b4-29d0164c60ec
Flow Object IDfo-c6d510538d1b56fa
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 141-05-9
EC Numbers 205-451-9
prefLabel
Language Value Provenance
en Diethyl Maleate
altLabel
Language Value Provenance
en 2-butenedioic acid (2Z)-, dimethyl ester
en diethyl (2Z)-but-2-enedioate
en maleic acid, diethyl ester
en (2<em>Z</em>)-2-Butenedioic acid diethyl ester
en (<em>Z</em>)-2-Butenedioic acid diethyl ester
en 2-Butenedioic acid (2<em>Z</em>)-, 1,4-diethyl ester
en 2-Butenedioic acid (2<em>Z</em>)-, diethyl ester
en 2-Butenedioic acid (<em>Z</em>)-, diethyl ester
en Diethyl (<em>Z</em>)-2-butenedioate
en Ethyl maleate
en Maleinic acid diethyl ester
en Staflex DEM
Definitions
Language Value Provenance
en A maleate ester resulting from the formal condensation of both carboxy groups of maleic acid with ethanol. A colourless liquid at room temperature (m.p. -10°C) with boiling point 220°C at 1 atm., it is commonly used as a dienophile for Diels-Alder-type cycloaddition reactions in organic synthesis.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey IEPRKVQEAMIZSS-WAYWQWQTSA-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 (Z)-2-butenedioic acid diethyl ester, (Z)-but-2-enedioic acid diethyl ester, diethyl (Z)-but-2-enedioate
Molecular formula C8H12O4
Molecular mass 172.18
Monoisotopic mass 172.07356
SMILES CCOC(=O)/C=CC(=O)OCC, 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 cfb780a4-ebbb-4f4b-a1b4-29d0164c60ec diethyl maleate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 diethyl maleate Emissions/Emissions to soil/Emissions to agricultural soil 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=diethylmaleate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=141-05-9; added Common Chemistry CAS names as altLabel: (2<em>Z</em>)-2-Butenedioic acid diethyl ester, (<em>Z</em>)-2-Butenedioic acid diethyl ester, 2-Butenedioic acid (2<em>Z</em>)-, 1,4-diethyl ester, 2-Butenedioic acid (2<em>Z</em>)-, diethyl ester, 2-Butenedioic acid (<em>Z</em>)-, diethyl ester, Diethyl (<em>Z</em>)-2-butenedioate, Ethyl maleate, Maleinic acid diethyl ester, Staflex DEM; object_uuid=fo-c6d510538d1b56fa
cas_match_labels 1 consensus_match group_key=diethylmaleate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'141-05-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c6d510538d1b56fa: {'141-05-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '2-butenedioic acid (2Z)-, dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-butenedioic acid (2Z)-, dimethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_68508', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'diethyl (2Z)-but-2-enedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diethyl (2Z)-but-2-enedioate', 'http://purl.obolibrary.org/obo/CHEBI_68508', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'maleic acid, diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:maleic acid, diethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_68508', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2-butenedioic acid (2Z)-, dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-butenedioic acid (2Z)-, dimethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_68508', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'diethyl (2Z)-but-2-enedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diethyl (2Z)-but-2-enedioate', 'http://purl.obolibrary.org/obo/CHEBI_68508', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'maleic acid, diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:maleic acid, diethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_68508', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(2<em>Z</em>)-2-Butenedioic acid diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-05-9', 'https://commonchemistry.cas.org/detail?cas_rn=141-05-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>Z</em>)-2-Butenedioic acid diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-05-9', 'https://commonchemistry.cas.org/detail?cas_rn=141-05-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Butenedioic acid (2<em>Z</em>)-, 1,4-diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-05-9', 'https://commonchemistry.cas.org/detail?cas_rn=141-05-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Butenedioic acid (2<em>Z</em>)-, diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-05-9', 'https://commonchemistry.cas.org/detail?cas_rn=141-05-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Butenedioic acid (<em>Z</em>)-, diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-05-9', 'https://commonchemistry.cas.org/detail?cas_rn=141-05-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diethyl (<em>Z</em>)-2-butenedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-05-9', 'https://commonchemistry.cas.org/detail?cas_rn=141-05-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl maleate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-05-9', 'https://commonchemistry.cas.org/detail?cas_rn=141-05-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Maleinic acid diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-05-9', 'https://commonchemistry.cas.org/detail?cas_rn=141-05-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Staflex DEM', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-05-9', 'https://commonchemistry.cas.org/detail?cas_rn=141-05-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=diethylmaleate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=141-05-9; added Common Chemistry CAS names as altLabel: (2<em>Z</em>)-2-Butenedioic acid diethyl ester, (<em>Z</em>)-2-Butenedioic acid diethyl ester, 2-Butenedioic acid (2<em>Z</em>)-, 1,4-diethyl ester, 2-Butenedioic acid (2<em>Z</em>)-, diethyl ester, 2-Butenedioic acid (<em>Z</em>)-, diethyl ester, Diethyl (<em>Z</em>)-2-butenedioate, Ethyl maleate, Maleinic acid diethyl ester, Staflex DEM; object_uuid=fo-c6d510538d1b56fa
cas_match_labels None {'141-05-9': 'exactMatch'} group_key=diethylmaleate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'141-05-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c6d510538d1b56fa: {'141-05-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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