Dimethyl Malonate

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UUID 878c153f-afcc-4938-84a6-09489a0ab7f5

Flow Object ID fo-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	`878c153f-afcc-4938-84a6-09489a0ab7f5`	dimethyl malonate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	dimethyl malonate	Emissions/Emissions to soil/Emissions to non-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=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

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

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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