← Back to consensus flow objects

6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate

Flow Object IDfo-c6e7055f892ed4f6
TypeConsensus
prefLabel
Label Language
6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate en
Alt Labels
Label Language Provenance
4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester en
Neopentyl glycol bis(tetrahydrophthalate) en
CAS Numbers41026-17-9
EC Numbers255-180-5
Changes Applied26

Properties

Predicate Value
InChIKey WYEWIMCFHPCSOP-UHFFFAOYSA-N, ZNLDISJPOBTICN-UHFFFAOYSA-N
InChI InChI=1S/C13H18O4/c1-13(2)7-16-11(14)9-5-3-4-6-10(9)12(15)17-8-13/h3-4,9-10H,5-8H2,1-2H3, InChI=1S/C21H28O8/c1-21(2,11-28-19(26)15-9-5-3-7-13(15)17(22)23)12-29-20(27)16-10-6-4-8-14(16)18(24)25/h3-6,13-16H,7-12H2,1-2H3,(H,22,23)(H,24,25)
IUPAC name 4,4-dimethyl-3,5,7a,8,11,11a-hexahydro-2,6-benzodioxonin-1,7-dione, 4,4-dimethyl-3,5,7a,8,11,11a-hexahydro-2,6-benzodioxonin-1,7-quinone, 4,4-dimethyl-3,5,7a,8,11,11a-hexahydro-2,6-benzodioxonine-1,7-dione, 6-[3-(6-carboxycyclohex-3-en-1-yl)carbonyloxy-2,2-dimethyl-propoxy]carbonylcyclohex-3-ene-1-carboxylic acid, 6-[3-(6-carboxycyclohex-3-ene-1-carbonyl)oxy-2,2-dimethyl-propoxy]carbonylcyclohex-3-ene-1-carboxylic acid, 6-[3-(6-carboxycyclohex-3-ene-1-carbonyl)oxy-2,2-dimethylpropoxy]carbonylcyclohex-3-ene-1-carboxylic acid, 6-[[3-[(6-carboxy-1-cyclohex-3-enyl)-oxomethoxy]-2,2-dimethylpropoxy]-oxomethyl]-1-cyclohex-3-enecarboxylic acid
Molecular formula C13H18O4, C21H28O8
SMILES CC(C)(COC(=O)C1CC=CCC1C(=O)O)COC(=O)C2CC=CCC2C(=O)O, CC1(COC(=O)C2CC=CCC2C(=O)OC1)C

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
bd63952e… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
0acce055… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
ea6c2b65… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
c0967614… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
552bde63… EF 3.1 kg Environmental → Air → Unknown 4 2
d04ee4d1… EF 3.1 kg Environmental → Air → Unknown 4 2
1bf15f2b… EF 3.1 kg Environmental → Ground → Agricultural 4 2
1bb78822… EF 3.1 kg Environmental → Ground → Unknown 4 2
897f9e14… EF 3.1 kg Environmental → Water → Ocean 4 2
5efbb255… EF 3.1 kg Environmental → Water → Surface water 4 2
06e36a7a… EF 3.1 kg Environmental → Water → Unknown 4 2

Changes Applied

Elementary Flow Field Old Value New Value Comment
06e36a7a… altLabel [{"@value":"4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neopentyl glycol bis(tetrahydrophthalate)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; cas=41026-17-9; added Common Chemistry CAS names as altLabel: 4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester, Neopentyl glycol bis(tetrahydrophthalate); object_uuid=fo-c6e7055f892ed4f6
06e36a7a… cas_match_labels {"41026-17-9":"exactMatch"} group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'41026-17-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c6e7055f892ed4f6: {'41026-17-9': 'exactMatch'}
0acce055… altLabel [{"@value":"4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neopentyl glycol bis(tetrahydrophthalate)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; cas=41026-17-9; added Common Chemistry CAS names as altLabel: 4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester, Neopentyl glycol bis(tetrahydrophthalate); object_uuid=fo-c6e7055f892ed4f6
0acce055… cas_match_labels {"41026-17-9":"exactMatch"} group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'41026-17-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c6e7055f892ed4f6: {'41026-17-9': 'exactMatch'}
113c9e07… altLabel [{"@value":"4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neopentyl glycol bis(tetrahydrophthalate)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; cas=41026-17-9; added Common Chemistry CAS names as altLabel: 4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester, Neopentyl glycol bis(tetrahydrophthalate); object_uuid=fo-c6e7055f892ed4f6
113c9e07… cas_match_labels {"41026-17-9":"exactMatch"} group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'41026-17-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c6e7055f892ed4f6: {'41026-17-9': 'exactMatch'}
1bb78822… altLabel [{"@value":"4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neopentyl glycol bis(tetrahydrophthalate)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; cas=41026-17-9; added Common Chemistry CAS names as altLabel: 4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester, Neopentyl glycol bis(tetrahydrophthalate); object_uuid=fo-c6e7055f892ed4f6
1bb78822… cas_match_labels {"41026-17-9":"exactMatch"} group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'41026-17-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c6e7055f892ed4f6: {'41026-17-9': 'exactMatch'}
1bf15f2b… altLabel [{"@value":"4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neopentyl glycol bis(tetrahydrophthalate)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; cas=41026-17-9; added Common Chemistry CAS names as altLabel: 4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester, Neopentyl glycol bis(tetrahydrophthalate); object_uuid=fo-c6e7055f892ed4f6
1bf15f2b… cas_match_labels {"41026-17-9":"exactMatch"} group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'41026-17-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c6e7055f892ed4f6: {'41026-17-9': 'exactMatch'}
269421c0… altLabel [{"@value":"4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neopentyl glycol bis(tetrahydrophthalate)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; cas=41026-17-9; added Common Chemistry CAS names as altLabel: 4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester, Neopentyl glycol bis(tetrahydrophthalate); object_uuid=fo-c6e7055f892ed4f6
269421c0… cas_match_labels {"41026-17-9":"exactMatch"} group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'41026-17-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c6e7055f892ed4f6: {'41026-17-9': 'exactMatch'}
552bde63… altLabel [{"@value":"4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neopentyl glycol bis(tetrahydrophthalate)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; cas=41026-17-9; added Common Chemistry CAS names as altLabel: 4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester, Neopentyl glycol bis(tetrahydrophthalate); object_uuid=fo-c6e7055f892ed4f6
552bde63… cas_match_labels {"41026-17-9":"exactMatch"} group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'41026-17-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c6e7055f892ed4f6: {'41026-17-9': 'exactMatch'}
5efbb255… altLabel [{"@value":"4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neopentyl glycol bis(tetrahydrophthalate)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; cas=41026-17-9; added Common Chemistry CAS names as altLabel: 4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester, Neopentyl glycol bis(tetrahydrophthalate); object_uuid=fo-c6e7055f892ed4f6
5efbb255… cas_match_labels {"41026-17-9":"exactMatch"} group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'41026-17-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c6e7055f892ed4f6: {'41026-17-9': 'exactMatch'}
897f9e14… altLabel [{"@value":"4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neopentyl glycol bis(tetrahydrophthalate)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; cas=41026-17-9; added Common Chemistry CAS names as altLabel: 4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester, Neopentyl glycol bis(tetrahydrophthalate); object_uuid=fo-c6e7055f892ed4f6
897f9e14… cas_match_labels {"41026-17-9":"exactMatch"} group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'41026-17-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c6e7055f892ed4f6: {'41026-17-9': 'exactMatch'}
bd63952e… altLabel [{"@value":"4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neopentyl glycol bis(tetrahydrophthalate)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; cas=41026-17-9; added Common Chemistry CAS names as altLabel: 4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester, Neopentyl glycol bis(tetrahydrophthalate); object_uuid=fo-c6e7055f892ed4f6
bd63952e… cas_match_labels {"41026-17-9":"exactMatch"} group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'41026-17-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c6e7055f892ed4f6: {'41026-17-9': 'exactMatch'}
c0967614… altLabel [{"@value":"4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neopentyl glycol bis(tetrahydrophthalate)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; cas=41026-17-9; added Common Chemistry CAS names as altLabel: 4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester, Neopentyl glycol bis(tetrahydrophthalate); object_uuid=fo-c6e7055f892ed4f6
c0967614… cas_match_labels {"41026-17-9":"exactMatch"} group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'41026-17-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c6e7055f892ed4f6: {'41026-17-9': 'exactMatch'}
d04ee4d1… altLabel [{"@value":"4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neopentyl glycol bis(tetrahydrophthalate)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; cas=41026-17-9; added Common Chemistry CAS names as altLabel: 4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester, Neopentyl glycol bis(tetrahydrophthalate); object_uuid=fo-c6e7055f892ed4f6
d04ee4d1… cas_match_labels {"41026-17-9":"exactMatch"} group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'41026-17-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c6e7055f892ed4f6: {'41026-17-9': 'exactMatch'}
ea6c2b65… altLabel [{"@value":"4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neopentyl glycol bis(tetrahydrophthalate)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:41026-17-9","https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; cas=41026-17-9; added Common Chemistry CAS names as altLabel: 4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester, Neopentyl glycol bis(tetrahydrophthalate); object_uuid=fo-c6e7055f892ed4f6
ea6c2b65… cas_match_labels {"41026-17-9":"exactMatch"} group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'41026-17-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c6e7055f892ed4f6: {'41026-17-9': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-c6e7055f892ed4f6",
  "prefLabel": [
    {
      "@value": "6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Neopentyl glycol bis(tetrahydrophthalate)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C13H18O4",
        "C21H28O8"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6451677",
          "CID:20841611"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "WYEWIMCFHPCSOP-UHFFFAOYSA-N",
        "ZNLDISJPOBTICN-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6451677",
          "CID:20841611"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)(COC(=O)C1CC=CCC1C(=O)O)COC(=O)C2CC=CCC2C(=O)O",
        "CC1(COC(=O)C2CC=CCC2C(=O)OC1)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6451677",
          "CID:20841611"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C13H18O4/c1-13(2)7-16-11(14)9-5-3-4-6-10(9)12(15)17-8-13/h3-4,9-10H,5-8H2,1-2H3",
        "InChI=1S/C21H28O8/c1-21(2,11-28-19(26)15-9-5-3-7-13(15)17(22)23)12-29-20(27)16-10-6-4-8-14(16)18(24)25/h3-6,13-16H,7-12H2,1-2H3,(H,22,23)(H,24,25)"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6451677",
          "CID:20841611"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "4,4-dimethyl-3,5,7a,8,11,11a-hexahydro-2,6-benzodioxonin-1,7-dione",
        "4,4-dimethyl-3,5,7a,8,11,11a-hexahydro-2,6-benzodioxonin-1,7-quinone",
        "4,4-dimethyl-3,5,7a,8,11,11a-hexahydro-2,6-benzodioxonine-1,7-dione",
        "6-[3-(6-carboxycyclohex-3-en-1-yl)carbonyloxy-2,2-dimethyl-propoxy]carbonylcyclohex-3-ene-1-carboxylic acid",
        "6-[3-(6-carboxycyclohex-3-ene-1-carbonyl)oxy-2,2-dimethyl-propoxy]carbonylcyclohex-3-ene-1-carboxylic acid",
        "6-[3-(6-carboxycyclohex-3-ene-1-carbonyl)oxy-2,2-dimethylpropoxy]carbonylcyclohex-3-ene-1-carboxylic acid",
        "6-[[3-[(6-carboxy-1-cyclohex-3-enyl)-oxomethoxy]-2,2-dimethylpropoxy]-oxomethyl]-1-cyclohex-3-enecarboxylic acid"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6451677",
          "CID:20841611"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J294.811G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20841611;CAS:41026-17-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[41026-17-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.050.146",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6451677;CAS:41026-17-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[41026-17-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=41026-17-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20841611;CAS:41026-17-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[41026-17-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID90961393",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20841611;CAS:41026-17-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[41026-17-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/20841611",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20841611;CAS:41026-17-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[41026-17-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6451677",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6451677;CAS:41026-17-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[41026-17-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126676425",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20841611;CAS:41026-17-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[41026-17-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82942795",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6451677;CAS:41026-17-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[41026-17-9]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "06e36a7a-66fa-43e2-b9f3-28cabd5b59c5",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "41026-17-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=41026-17-9"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "255-180-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=255-180-5"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null
}