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1,2,4-benzenetricarboxylic Acid, Mixed Branched Tridecyl And Isodecyl Esters

Flow Object IDfo-bdd6c421035ae877
TypeConsensus
prefLabel
Label Language
1,2,4-benzenetricarboxylic Acid, Mixed Branched Tridecyl And Isodecyl Esters en
CAS Numbers70225-05-7
EC Numbers615-086-0
Changes Applied13

Properties

Predicate Value
InChIKey CGEFBVCYLRKCAO-UHFFFAOYSA-K, OGZULTSQOUHCHW-UHFFFAOYSA-N, YNKHAYUWCVQHBA-UHFFFAOYSA-N
InChI InChI=1S/C22H32O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-17(20(23)24)15-18(21(25)26)19(16)22(27)28/h14-15H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28)/p-3, InChI=1S/C42H72O6/c1-6-7-8-9-10-11-12-13-14-19-24-31-46-40(43)37-29-30-38(41(44)47-32-25-20-15-17-22-27-35(2)3)39(34-37)42(45)48-33-26-21-16-18-23-28-36(4)5/h29-30,34-36H,6-28,31-33H2,1-5H3, InChI=1S/C42H74O6/c1-34(2)25-19-13-9-7-8-10-16-22-30-46-40(43)37-28-29-38(41(44)47-31-23-17-11-14-20-26-35(3)4)39(33-37)42(45)48-32-24-18-12-15-21-27-36(5)6/h28-29,33-36,38-39H,7-27,30-32H2,1-6H3
IUPAC name 1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate, 4-O-(11-methyldodecyl) 1-O,2-O-bis(8-methylnonyl) cyclohexa-3,5-diene-1,2,4-tricarboxylate, 6-tridecylbenzene-1,2,4-tricarboxylate, O1,O2-bis(8-methylnonyl) O4-tridecyl benzene-1,2,4-tricarboxylate, O4-(11-methyldodecyl) O1,O2-bis(8-methylnonyl) cyclohexa-3,5-diene-1,2,4-tricarboxylate, benzene-1,2,4-tricarboxylic acid O1,O2-bis(8-methylnonyl) ester O4-tridecyl ester, cyclohexa-3,5-diene-1,2,4-tricarboxylic acid O4-(11-methyldodecyl) ester O1,O2-bis(8-methylnonyl) ester
Molecular formula C22H29O6-3, C42H72O6, C42H74O6
SMILES CC(C)CCCCCCCCCCOC(=O)C1=CC(C(C=C1)C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C, CCCCCCCCCCCCCC1=C(C(=CC(=C1)C(=O)[O-])C(=O)[O-])C(=O)[O-], CCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
f606603f… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 1
036f5f1c… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
cf969d56… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 1
473708b2… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 1
27b0b6d9… EF 3.1 kg Environmental → Air → Unknown 4 1
a7034d06… EF 3.1 kg Environmental → Air → Unknown 4 1
272eb55e… EF 3.1 kg Environmental → Ground → Agricultural 4 1
18d8a7e5… EF 3.1 kg Environmental → Ground → Unknown 4 1
d0a821a6… EF 3.1 kg Environmental → Water → Ocean 4 1
8fba258f… EF 3.1 kg Environmental → Water → Surface water 4 1
f2ea4d13… EF 3.1 kg Environmental → Water → Unknown 4 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
036f5f1c… cas_match_labels — {"70225-05-7":"exactMatch"} group_key=1,2,4-benzenetricarboxylicacid,mixedbranchedtridecylandisodecylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'70225-05-7': []}; assigned CAS labels from group consensus; object_uuid=fo-bdd6c421035ae877: {'70225-05-7': 'exactMatch'}
18d8a7e5… cas_match_labels — {"70225-05-7":"exactMatch"} group_key=1,2,4-benzenetricarboxylicacid,mixedbranchedtridecylandisodecylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'70225-05-7': []}; assigned CAS labels from group consensus; object_uuid=fo-bdd6c421035ae877: {'70225-05-7': 'exactMatch'}
23332864… cas_match_labels — {"70225-05-7":"exactMatch"} group_key=1,2,4-benzenetricarboxylicacid,mixedbranchedtridecylandisodecylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'70225-05-7': []}; assigned CAS labels from group consensus; object_uuid=fo-bdd6c421035ae877: {'70225-05-7': 'exactMatch'}
272eb55e… cas_match_labels — {"70225-05-7":"exactMatch"} group_key=1,2,4-benzenetricarboxylicacid,mixedbranchedtridecylandisodecylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'70225-05-7': []}; assigned CAS labels from group consensus; object_uuid=fo-bdd6c421035ae877: {'70225-05-7': 'exactMatch'}
27b0b6d9… cas_match_labels — {"70225-05-7":"exactMatch"} group_key=1,2,4-benzenetricarboxylicacid,mixedbranchedtridecylandisodecylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'70225-05-7': []}; assigned CAS labels from group consensus; object_uuid=fo-bdd6c421035ae877: {'70225-05-7': 'exactMatch'}
473708b2… cas_match_labels — {"70225-05-7":"exactMatch"} group_key=1,2,4-benzenetricarboxylicacid,mixedbranchedtridecylandisodecylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'70225-05-7': []}; assigned CAS labels from group consensus; object_uuid=fo-bdd6c421035ae877: {'70225-05-7': 'exactMatch'}
8fba258f… cas_match_labels — {"70225-05-7":"exactMatch"} group_key=1,2,4-benzenetricarboxylicacid,mixedbranchedtridecylandisodecylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'70225-05-7': []}; assigned CAS labels from group consensus; object_uuid=fo-bdd6c421035ae877: {'70225-05-7': 'exactMatch'}
a7034d06… cas_match_labels — {"70225-05-7":"exactMatch"} group_key=1,2,4-benzenetricarboxylicacid,mixedbranchedtridecylandisodecylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'70225-05-7': []}; assigned CAS labels from group consensus; object_uuid=fo-bdd6c421035ae877: {'70225-05-7': 'exactMatch'}
cf969d56… cas_match_labels — {"70225-05-7":"exactMatch"} group_key=1,2,4-benzenetricarboxylicacid,mixedbranchedtridecylandisodecylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'70225-05-7': []}; assigned CAS labels from group consensus; object_uuid=fo-bdd6c421035ae877: {'70225-05-7': 'exactMatch'}
d0a821a6… cas_match_labels — {"70225-05-7":"exactMatch"} group_key=1,2,4-benzenetricarboxylicacid,mixedbranchedtridecylandisodecylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'70225-05-7': []}; assigned CAS labels from group consensus; object_uuid=fo-bdd6c421035ae877: {'70225-05-7': 'exactMatch'}
d4e897d6… cas_match_labels — {"70225-05-7":"exactMatch"} group_key=1,2,4-benzenetricarboxylicacid,mixedbranchedtridecylandisodecylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'70225-05-7': []}; assigned CAS labels from group consensus; object_uuid=fo-bdd6c421035ae877: {'70225-05-7': 'exactMatch'}
f2ea4d13… cas_match_labels — {"70225-05-7":"exactMatch"} group_key=1,2,4-benzenetricarboxylicacid,mixedbranchedtridecylandisodecylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'70225-05-7': []}; assigned CAS labels from group consensus; object_uuid=fo-bdd6c421035ae877: {'70225-05-7': 'exactMatch'}
f606603f… cas_match_labels — {"70225-05-7":"exactMatch"} group_key=1,2,4-benzenetricarboxylicacid,mixedbranchedtridecylandisodecylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'70225-05-7': []}; assigned CAS labels from group consensus; object_uuid=fo-bdd6c421035ae877: {'70225-05-7': 'exactMatch'}

Flow Object JSON

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      "@value": "1,2,4-benzenetricarboxylic Acid, Mixed Branched Tridecyl And Isodecyl Esters",
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        "CCCCCCCCCCCCCC1=C(C(=CC(=C1)C(=O)[O-])C(=O)[O-])C(=O)[O-]",
        "CCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C"
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        "InChI=1S/C42H72O6/c1-6-7-8-9-10-11-12-13-14-19-24-31-46-40(43)37-29-30-38(41(44)47-32-25-20-15-17-22-27-35(2)3)39(34-37)42(45)48-33-26-21-16-18-23-28-36(4)5/h29-30,34-36H,6-28,31-33H2,1-5H3",
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        "4-O-(11-methyldodecyl) 1-O,2-O-bis(8-methylnonyl) cyclohexa-3,5-diene-1,2,4-tricarboxylate",
        "6-tridecylbenzene-1,2,4-tricarboxylate",
        "O1,O2-bis(8-methylnonyl) O4-tridecyl benzene-1,2,4-tricarboxylate",
        "O4-(11-methyldodecyl) O1,O2-bis(8-methylnonyl) cyclohexa-3,5-diene-1,2,4-tricarboxylate",
        "benzene-1,2,4-tricarboxylic acid O1,O2-bis(8-methylnonyl) ester O4-tridecyl ester",
        "cyclohexa-3,5-diene-1,2,4-tricarboxylic acid O4-(11-methyldodecyl) ester O1,O2-bis(8-methylnonyl) ester"
      ],
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