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Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate

UUID 35cf6f57-222f-46cd-8b07-fbb3fea4b55e
Flow Object IDfo-db771df78d65c8f3
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 6289-46-9
EC Numbers 228-528-9
prefLabel
Language Value Provenance
en Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
altLabel ⓘ
Language Value Provenance
en 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester
en 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester
en 1,4-Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
en Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate
en Dimethyl 2,5-dioxocyclohexane-1,4-carboxylate
en Dimethyl cyclohexane-2,5-dione-1,4-dicarboxylate
en Dimethyl succinosuccinate
en Dimethyl succinylsuccinate
en NSC 122567
en NSC 5670
en Succinosuccinic acid dimethyl ester
References
Shared Properties
Predicate Value
InChIKey AFYFEUSEUHGKGV-UHFFFAOYSA-N, LDTXIOLQLXJPIO-UHFFFAOYSA-N, MHKKFFHWMKEBDW-UHFFFAOYSA-N
InChI InChI=1S/4C9H19O.Ti/c4*1-2-3-4-5-6-7-8-9-10;/h4*2-9H2,1H3;/q4*-1;+4, InChI=1S/C10H12O6/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h5-6H,3-4H2,1-2H3, InChI=1S/C10H12O6/c1-5(11)16-9-4-7(12)6(3-8(9)13)10(14)15-2/h6,9H,3-4H2,1-2H3
IUPAC name 2,5-diketocyclohexane-1,4-dicarboxylic acid dimethyl ester, 2,5-dioxocyclohexane-1,4-dicarboxylic acid dimethyl ester, 4-acetoxy-2,5-diketo-cyclohexanecarboxylic acid methyl ester, 4-acetyloxy-2,5-dioxo-1-cyclohexanecarboxylic acid methyl ester, dimethyl 2,5-bis(oxidanylidene)cyclohexane-1,4-dicarboxylate, dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate, methyl 4-acetoxy-2,5-dioxo-cyclohexanecarboxylate, methyl 4-acetyloxy-2,5-bis(oxidanylidene)cyclohexane-1-carboxylate, methyl 4-acetyloxy-2,5-dioxocyclohexane-1-carboxylate, tetrakis(1-nonanolate);titanium(4+), tetrakis(nonan-1-olate);titanium(4+)
Molecular formula C10H12O6, C36H76O4Ti
SMILES CC(=O)OC1CC(=O)C(CC1=O)C(=O)OC, CCCCCCCCC[O-].CCCCCCCCC[O-].CCCCCCCCC[O-].CCCCCCCCC[O-].[Ti+4], COC(=O)C1CC(=O)C(CC1=O)C(=O)OC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 35cf6f57-222f-46cd-8b07-fbb3fea4b55e dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate Emissions/Emissions to water/Emissions to sea 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=dimethyl2,5-dioxocyclohexane-1,4-dicarboxylate||dimension=Environmental > media=Air > strata=Unknown; cas=6289-46-9; added Common Chemistry CAS names as altLabel: 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester, 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester, 1,4-Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate, Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate, Dimethyl 2,5-dioxocyclohexane-1,4-carboxylate, Dimethyl cyclohexane-2,5-dione-1,4-dicarboxylate, Dimethyl succinosuccinate, Dimethyl succinylsuccinate, NSC 122567, NSC 5670, Succinosuccinic acid dimethyl ester; object_uuid=fo-db771df78d65c8f3
cas_match_labels 1 — consensus_match group_key=dimethyl2,5-dioxocyclohexane-1,4-dicarboxylate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6289-46-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db771df78d65c8f3: {'6289-46-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6289-46-9', 'https://commonchemistry.cas.org/detail?cas_rn=6289-46-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6289-46-9', 'https://commonchemistry.cas.org/detail?cas_rn=6289-46-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4-Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6289-46-9', 'https://commonchemistry.cas.org/detail?cas_rn=6289-46-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6289-46-9', 'https://commonchemistry.cas.org/detail?cas_rn=6289-46-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethyl 2,5-dioxocyclohexane-1,4-carboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6289-46-9', 'https://commonchemistry.cas.org/detail?cas_rn=6289-46-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethyl cyclohexane-2,5-dione-1,4-dicarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6289-46-9', 'https://commonchemistry.cas.org/detail?cas_rn=6289-46-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethyl succinosuccinate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6289-46-9', 'https://commonchemistry.cas.org/detail?cas_rn=6289-46-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethyl succinylsuccinate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6289-46-9', 'https://commonchemistry.cas.org/detail?cas_rn=6289-46-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 122567', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6289-46-9', 'https://commonchemistry.cas.org/detail?cas_rn=6289-46-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 5670', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6289-46-9', 'https://commonchemistry.cas.org/detail?cas_rn=6289-46-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Succinosuccinic acid dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6289-46-9', 'https://commonchemistry.cas.org/detail?cas_rn=6289-46-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=dimethyl2,5-dioxocyclohexane-1,4-dicarboxylate||dimension=Environmental > media=Air > strata=Unknown; cas=6289-46-9; added Common Chemistry CAS names as altLabel: 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester, 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester, 1,4-Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate, Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate, Dimethyl 2,5-dioxocyclohexane-1,4-carboxylate, Dimethyl cyclohexane-2,5-dione-1,4-dicarboxylate, Dimethyl succinosuccinate, Dimethyl succinylsuccinate, NSC 122567, NSC 5670, Succinosuccinic acid dimethyl ester; object_uuid=fo-db771df78d65c8f3
cas_match_labels None {'6289-46-9': 'exactMatch'} group_key=dimethyl2,5-dioxocyclohexane-1,4-dicarboxylate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6289-46-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db771df78d65c8f3: {'6289-46-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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