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

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

UUID 036f5f1c-09af-4296-a577-2733a2987224

Flow Object ID fo-bdd6c421035ae877

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

CAS Numbers 70225-05-7

EC Numbers 615-086-0

prefLabel

Language	Value	Provenance
`en`	`1,2,4-benzenetricarboxylic Acid, Mixed Branched Tridecyl And Isodecyl Esters`

References

Shared 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`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`036f5f1c-09af-4296-a577-2733a2987224`	1,2,4-benzenetricarboxylic acid, mixed branched tridecyl and isodecyl esters

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	1,2,4-benzenetricarboxylic acid, mixed branched tridecyl and isodecyl esters	Emissions/Emissions to air/Emissions to air, unspecified (long-term)	kg	`exactMatch`	—

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`cas_match_labels`	1	`—`	consensus_match	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'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Rural (<1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`cas_match_labels`	`None`	`{'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'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "lcia_methods": [],
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        "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",
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