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Dimethyl Adipate

UUID 172a64c3-6556-11dd-ad8b-0800200c9a66
Deprecated yes
Replaced By 172a64c1-6556-11dd-ad8b-0800200c9a66
Flow Object IDfo-05919fc674bc1fda
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 627-93-0
EC Numbers 211-020-6
prefLabel
Language Value Provenance
en Dimethyl Adipate
altLabel ⓘ
Language Value Provenance
en Dimethyl hexanedioate
en Adipic acid, dimethyl ester
en Adipinic acid dimethyl ester
en DBE 6
en Dimethyl 1,6-hexanedioate
en Hexanedioic acid, 1,6-dimethyl ester
en Hexanedioic acid, dimethyl ester
en Methyl adipate
en NSC 11213
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey UDSFAEKRVUSQDD-UHFFFAOYSA-N
InChI InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3
IUPAC name adipic acid dimethyl ester, dimethyl hexanedioate, hexanedioic acid dimethyl ester
Molecular formula C8H14O4
Molecular mass 174.196
Monoisotopic mass 174.08921
SMILES COC(=O)CCCCC(=O)OC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 172a64c3-6556-11dd-ad8b-0800200c9a66 dimethyl adipate

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=dimethyladipate||dimension=Environmental > media=Ground > geography=Agricultural; cas=627-93-0; added Common Chemistry CAS names as altLabel: Adipic acid, dimethyl ester, Adipinic acid dimethyl ester, DBE 6, Dimethyl 1,6-hexanedioate, Hexanedioic acid, 1,6-dimethyl ester, Hexanedioic acid, dimethyl ester, Methyl adipate, NSC 11213; object_uuid=fo-05919fc674bc1fda
cas_match_labels 1 — consensus_match group_key=dimethyladipate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'627-93-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-05919fc674bc1fda: {'627-93-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'Dimethyl hexanedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Dimethyl hexanedioate', 'http://purl.obolibrary.org/obo/CHEBI_34715', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'Dimethyl hexanedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Dimethyl hexanedioate', 'http://purl.obolibrary.org/obo/CHEBI_34715', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Adipic acid, dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:627-93-0', 'https://commonchemistry.cas.org/detail?cas_rn=627-93-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Adipinic acid dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:627-93-0', 'https://commonchemistry.cas.org/detail?cas_rn=627-93-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DBE 6', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:627-93-0', 'https://commonchemistry.cas.org/detail?cas_rn=627-93-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethyl 1,6-hexanedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:627-93-0', 'https://commonchemistry.cas.org/detail?cas_rn=627-93-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexanedioic acid, 1,6-dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:627-93-0', 'https://commonchemistry.cas.org/detail?cas_rn=627-93-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexanedioic acid, dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:627-93-0', 'https://commonchemistry.cas.org/detail?cas_rn=627-93-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl adipate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:627-93-0', 'https://commonchemistry.cas.org/detail?cas_rn=627-93-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 11213', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:627-93-0', 'https://commonchemistry.cas.org/detail?cas_rn=627-93-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=dimethyladipate||dimension=Environmental > media=Ground > geography=Agricultural; cas=627-93-0; added Common Chemistry CAS names as altLabel: Adipic acid, dimethyl ester, Adipinic acid dimethyl ester, DBE 6, Dimethyl 1,6-hexanedioate, Hexanedioic acid, 1,6-dimethyl ester, Hexanedioic acid, dimethyl ester, Methyl adipate, NSC 11213; object_uuid=fo-05919fc674bc1fda
cas_match_labels None {'627-93-0': 'exactMatch'} group_key=dimethyladipate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'627-93-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-05919fc674bc1fda: {'627-93-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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