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Dimethyl Malonate

UUID e02db9ff-8b2b-41da-a5f1-2572a3cdfc50
Deprecated yes
Replaced By 878c153f-afcc-4938-84a6-09489a0ab7f5
Flow Object IDfo-937b139b961ac2b0
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 108-59-8
EC Numbers 203-597-8
prefLabel
Language Value Provenance
en Dimethyl Malonate
altLabel ⓘ
Language Value Provenance
en Dimethyl 1,3-propanedioate
en Dimethyl propanedioate
en Malonic acid, dimethyl ester
en Methyl malonate
en NSC 620046
en Propanedioic acid, 1,3-dimethyl ester
en Propanedioic acid, dimethyl ester
References
Shared Properties
Predicate Value
InChIKey BEPAFCGSDWSTEL-UHFFFAOYSA-N, HTFQCXHHEIUZPM-UHFFFAOYSA-N, XFIFULIVWLHWNA-UHFFFAOYSA-N
InChI InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3, InChI=1S/C6H14O3.C4H2O3/c7-3-1-5-9-6-2-4-8;5-3-1-2-4(6)7-3/h7-8H,1-6H2;1-2H, InChI=1S/C9H9FO3/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)
IUPAC name 3-(2-fluoranylphenoxy)propanoic acid, 3-(2-fluorophenoxy)propanoic acid, 3-(2-fluorophenoxy)propionic acid, dimethyl propanedioate, furan-2,5-dione;3-(3-hydroxypropoxy)-1-propanol, furan-2,5-dione;3-(3-hydroxypropoxy)propan-1-ol, furan-2,5-dione;3-(3-oxidanylpropoxy)propan-1-ol, furan-2,5-quinone;3-(3-hydroxypropoxy)propan-1-ol, malonic acid dimethyl ester, propanedioic acid dimethyl ester
Molecular formula C10H16O6, C5H8O4, C9H9FO3
SMILES C1=CC(=O)OC1=O.C(CO)COCCCO, C1=CC=C(C(=C1)OCCC(=O)O)F, COC(=O)CC(=O)OC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 e02db9ff-8b2b-41da-a5f1-2572a3cdfc50 dimethyl malonate

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=dimethylmalonate||dimension=Environmental > media=Water > water_body=Unknown; cas=108-59-8; added Common Chemistry CAS names as altLabel: Dimethyl 1,3-propanedioate, Dimethyl propanedioate, Malonic acid, dimethyl ester, Methyl malonate, NSC 620046, Propanedioic acid, 1,3-dimethyl ester, Propanedioic acid, dimethyl ester; object_uuid=fo-937b139b961ac2b0
cas_match_labels 1 — consensus_match group_key=dimethylmalonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-59-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-937b139b961ac2b0: {'108-59-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Dimethyl 1,3-propanedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-59-8', 'https://commonchemistry.cas.org/detail?cas_rn=108-59-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethyl propanedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-59-8', 'https://commonchemistry.cas.org/detail?cas_rn=108-59-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Malonic acid, dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-59-8', 'https://commonchemistry.cas.org/detail?cas_rn=108-59-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl malonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-59-8', 'https://commonchemistry.cas.org/detail?cas_rn=108-59-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 620046', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-59-8', 'https://commonchemistry.cas.org/detail?cas_rn=108-59-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanedioic acid, 1,3-dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-59-8', 'https://commonchemistry.cas.org/detail?cas_rn=108-59-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanedioic acid, dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-59-8', 'https://commonchemistry.cas.org/detail?cas_rn=108-59-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=dimethylmalonate||dimension=Environmental > media=Water > water_body=Unknown; cas=108-59-8; added Common Chemistry CAS names as altLabel: Dimethyl 1,3-propanedioate, Dimethyl propanedioate, Malonic acid, dimethyl ester, Methyl malonate, NSC 620046, Propanedioic acid, 1,3-dimethyl ester, Propanedioic acid, dimethyl ester; object_uuid=fo-937b139b961ac2b0
cas_match_labels None {'108-59-8': 'exactMatch'} group_key=dimethylmalonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-59-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-937b139b961ac2b0: {'108-59-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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