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Pentaerythrityl Tetraisononanoate

UUID 74ce29cd-a81b-41af-a80b-f6225dcbd803
Flow Object IDfo-79233ed2c2846455
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 93803-89-5
EC Numbers 298-364-0
prefLabel
Language Value Provenance
en Pentaerythrityl Tetraisononanoate
altLabel
Language Value Provenance
en Isononanoic acid, 1,1′-[2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl] ester
en Isononanoic acid, 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl ester
en Pelemol P 49
en Pentaerythritol tetraisonanoate
en 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl Diisononanoate
References
Shared Properties
Predicate Value
InChIKey PPKAGMLCLQWXJX-UHFFFAOYSA-N
InChI InChI=1S/C41H76O8/c1-33(2)21-13-9-17-25-37(42)46-29-41(30-47-38(43)26-18-10-14-22-34(3)4,31-48-39(44)27-19-11-15-23-35(5)6)32-49-40(45)28-20-12-16-24-36(7)8/h33-36H,9-32H2,1-8H3
IUPAC name 7-methylcaprylic acid [3-(7-methyloctanoyloxy)-2,2-bis(7-methyloctanoyloxymethyl)propyl] ester, 7-methyloctanoic acid [3-(7-methyl-1-oxooctoxy)-2,2-bis[(7-methyl-1-oxooctoxy)methyl]propyl] ester, [3-(7-methyloctanoyloxy)-2,2-bis(7-methyloctanoyloxymethyl)propyl] 7-methyloctanoate
Molecular formula C41H76O8
SMILES CC(C)CCCCCC(=O)OCC(COC(=O)CCCCCC(C)C)(COC(=O)CCCCCC(C)C)COC(=O)CCCCCC(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 74ce29cd-a81b-41af-a80b-f6225dcbd803 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl diisononanoate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl diisononanoate Emissions/Emissions to soil/Emissions to non-agricultural soil 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=2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyldiisononanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=93803-89-5; added Common Chemistry CAS names as altLabel: Isononanoic acid, 1,1′-[2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl] ester, Isononanoic acid, 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl ester, Pelemol P 49, Pentaerythritol tetraisonanoate, Pentaerythrityl tetraisononanoate; object_uuid=fo-79233ed2c2846455
cas_match_labels 1 consensus_match group_key=2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyldiisononanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'93803-89-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-79233ed2c2846455: {'93803-89-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Isononanoic acid, 1,1′-[2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl] ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93803-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=93803-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isononanoic acid, 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93803-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=93803-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pelemol P 49', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93803-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=93803-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pentaerythritol tetraisonanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93803-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=93803-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pentaerythrityl tetraisononanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93803-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=93803-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyldiisononanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=93803-89-5; added Common Chemistry CAS names as altLabel: Isononanoic acid, 1,1′-[2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl] ester, Isononanoic acid, 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl ester, Pelemol P 49, Pentaerythritol tetraisonanoate, Pentaerythrityl tetraisononanoate; object_uuid=fo-79233ed2c2846455
cas_match_labels None {'93803-89-5': 'exactMatch'} group_key=2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyldiisononanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'93803-89-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-79233ed2c2846455: {'93803-89-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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