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dinonyl benzene-1,2-dicarboxylate

UUID e6d66b8b-1b63-4b3e-bfaf-a5ab01f8a0b4
Flow Object IDfo-7622eba64a4df783
Source EF 3.1
Context Environmental → Air → Aircraft cruise height
CAS Numbers 68515-48-0
EC Numbers 271-090-9
prefLabel ⓘ
Language Value Provenance
en dinonyl benzene-1,2-dicarboxylate
altLabel ⓘ
Language Value Provenance
en 1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-branched alkyl esters, C<sub>9</sub>-rich
References
Shared Properties
Predicate Value
InChIKey DROMNWUQASBTFM-UHFFFAOYSA-N, GDJOUZYAIHWDCA-UHFFFAOYSA-N, HBGGXOJOCNVPFY-UHFFFAOYSA-N, RCWHXOMMRWPOLR-UHFFFAOYSA-N
InChI InChI=1S/C26H42O4.C24H38O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4;1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3;9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3, InChI=1S/C26H42O4/c1-19(17-25(3,4)5)13-15-29-23(27)21-11-9-10-12-22(21)24(28)30-16-14-20(2)18-26(6,7)8/h9-12,19-20H,13-18H2,1-8H3, InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3, InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3
IUPAC name benzene-1,2-dicarboxylic acid bis(3,5,5-trimethylhexyl) ester, benzene-1,2-dicarboxylic acid bis(6-methylheptyl) ester;benzene-1,2-dicarboxylic acid bis(7-methyloctyl) ester, benzene-1,2-dicarboxylic acid bis(7-methyloctyl) ester, benzene-1,2-dicarboxylic acid dinonyl ester, bis(3,5,5-trimethylhexyl) benzene-1,2-dicarboxylate, bis(6-methylheptyl) benzene-1,2-dicarboxylate;bis(7-methyloctyl) benzene-1,2-dicarboxylate, bis(7-methyloctyl) benzene-1,2-dicarboxylate, dinonyl benzene-1,2-dicarboxylate
Molecular formula C26H42O4, C50H80O8
SMILES CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C, CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C.CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C, CC(CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C, CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 e6d66b8b-1b63-4b3e-bfaf-a5ab01f8a0b4 1,2-benzenedicarboxylic acid, di-c8-10-branched alkyl esters, c9-rich

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1,2-benzenedicarboxylic acid, di-c8-10-branched alkyl esters, c9-rich Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere kg exactMatch —

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=1,2-benzenedicarboxylicacid,di-c8-10-branchedalkylesters,c9-rich||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68515-48-0; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-branched alkyl esters, C<sub>9</sub>-rich; object_uuid=fo-7622eba64a4df783
cas_match_labels 1 — consensus_match group_key=1,2-benzenedicarboxylicacid,di-c8-10-branchedalkylesters,c9-rich||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68515-48-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7622eba64a4df783: {'68515-48-0': 'exactMatch'}
prefLabel 1 — consensus_match group_key=1,2-benzenedicarboxylicacid,di-c8-10-branchedalkylesters,c9-rich||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68515-48-0; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.1460; pubchem_entropy=3.8235; current_score=4.7060; pubchem_score=4.1135; score_improvement=0.5925; threshold=0.400; min_margin=0.400; object_uuid=fo-7622eba64a4df783

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataAircraft cruise height

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '1,2-benzenedicarboxylic Acid, Di-c8-10-branched Alkyl Esters, C9-rich', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'dinonyl benzene-1,2-dicarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68515-48-0', 'name:dinonyl benzene-1,2-dicarboxylate', 'https://pubchem.ncbi.nlm.nih.gov/compound/6787'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}] group_key=1,2-benzenedicarboxylicacid,di-c8-10-branchedalkylesters,c9-rich||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68515-48-0; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.1460; pubchem_entropy=3.8235; current_score=4.7060; pubchem_score=4.1135; score_improvement=0.5925; threshold=0.400; min_margin=0.400; object_uuid=fo-7622eba64a4df783
altLabel None [{'@value': '1,2-benzenedicarboxylic Acid, Di-c8-10-branched Alkyl Esters, C9-rich', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}] group_key=1,2-benzenedicarboxylicacid,di-c8-10-branchedalkylesters,c9-rich||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68515-48-0; added current EF name as altLabel when prefLabel differs; object_uuid=fo-7622eba64a4df783
altLabel [{'@value': '1,2-benzenedicarboxylic Acid, Di-c8-10-branched Alkyl Esters, C9-rich', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}] [{'@value': '1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-branched alkyl esters, C<sub>9</sub>-rich', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68515-48-0', 'https://commonchemistry.cas.org/detail?cas_rn=68515-48-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1,2-benzenedicarboxylicacid,di-c8-10-branchedalkylesters,c9-rich||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68515-48-0; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-branched alkyl esters, C<sub>9</sub>-rich; object_uuid=fo-7622eba64a4df783
cas_match_labels None {'68515-48-0': 'exactMatch'} group_key=1,2-benzenedicarboxylicacid,di-c8-10-branchedalkylesters,c9-rich||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68515-48-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7622eba64a4df783: {'68515-48-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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      "characterization_factor": 3.7495e-7
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