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Pentaerythrityl Tetraisononanoate

UUID da5bcdb0-c4c1-42fd-8250-874c3e7398c9
Deprecated yes
Replaced By 0c5c2a44-72ae-4052-ab0f-e5041d193ef6
Flow Object IDfo-79233ed2c2846455
Source EF 3.1
Context Environmental → Water → 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 da5bcdb0-c4c1-42fd-8250-874c3e7398c9 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl diisononanoate

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
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
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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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