Dipentaerythritol Hexaesters Of Pentanoic, Heptanoic And 3,5,5 Trimethylhexanoic Acid

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Dipentaerythritol Hexaesters Of Pentanoic, Heptanoic And 3,5,5 Trimethylhexanoic Acid

UUID ab759231-a1b8-4a97-b9e5-7ccc72194fb8

Deprecated yes

Replaced By 08c54550-092b-4069-867f-735d54563712

Flow Object ID fo-d5dcfa0c4a069a29

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 67762-52-1

EC Numbers 267-021-7

prefLabel

Language	Value	Provenance
`en`	`Dipentaerythritol Hexaesters Of Pentanoic, Heptanoic And 3,5,5 Trimethylhexanoic Acid`

altLabel ⓘ

Language	Value	Provenance
`en`	`Carboxylic acids, C<sub>5-9</sub>, hexaesters with dipentaerythritol`
`en`	`Fatty acids, C<sub>5-9</sub>, hexaesters with dipentaerythritol`

References

Shared Properties

Predicate	Value
InChIKey	`ITJIINAVMOBHSF-UHFFFAOYSA-N, WZLRYEIJALOESF-UHFFFAOYSA-R`
InChI	`InChI=1S/4C8H16O2.Ti/c41-3-5-8(10)7(4-2)6-9;/h47-8H,3-6H2,1-2H3;/q4*-2;+4/p+4, InChI=1S/C15H30O8/c1-2-3-4-13(21)23-12-15(8-19,9-20)11-22-10-14(5-16,6-17)7-18/h16-20H,2-12H2,1H3`
IUPAC name	`[2-[[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]methyl]-2-(hydroxymethyl)-3-oxidanyl-propyl] pentanoate, [3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propyl] pentanoate, pentanoic acid [3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propyl] ester, tetrakis(2-ethylhexane-1,3-diolate);hydron;titanium(4+), valeric acid [3-hydroxy-2-[(3-hydroxy-2,2-dimethylol-propoxy)methyl]-2-methylol-propyl] ester`
Molecular formula	`C15H30O8, C32H68O8Ti`
SMILES	`CCCCC(=O)OCC(CO)(CO)COCC(CO)(CO)CO, [H+].[H+].[H+].[H+].CCCC(C(CC)C[O-])[O-].CCCC(C(CC)C[O-])[O-].CCCC(C(CC)C[O-])[O-].CCCC(C(CC)C[O-])[O-].[Ti+4]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`ab759231-a1b8-4a97-b9e5-7ccc72194fb8`	dipentaerythritol hexaesters of pentanoic, heptanoic and 3,5,5 trimethylhexanoic acid

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=dipentaerythritolhexaestersofpentanoic,heptanoicand3,5,5trimethylhexanoicacid\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=67762-52-1; added Common Chemistry CAS names as altLabel: Carboxylic acids, C<sub>5-9</sub>, hexaesters with dipentaerythritol, Fatty acids, C<sub>5-9</sub>, hexaesters with dipentaerythritol; object_uuid=fo-d5dcfa0c4a069a29
`cas_match_labels`	1	`—`	consensus_match	group_key=dipentaerythritolhexaestersofpentanoic,heptanoicand3,5,5trimethylhexanoicacid\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'67762-52-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d5dcfa0c4a069a29: {'67762-52-1': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': 'Carboxylic acids, C<sub>5-9</sub>, hexaesters with dipentaerythritol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67762-52-1', 'https://commonchemistry.cas.org/detail?cas_rn=67762-52-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fatty acids, C<sub>5-9</sub>, hexaesters with dipentaerythritol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67762-52-1', 'https://commonchemistry.cas.org/detail?cas_rn=67762-52-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=dipentaerythritolhexaestersofpentanoic,heptanoicand3,5,5trimethylhexanoicacid\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=67762-52-1; added Common Chemistry CAS names as altLabel: Carboxylic acids, C<sub>5-9</sub>, hexaesters with dipentaerythritol, Fatty acids, C<sub>5-9</sub>, hexaesters with dipentaerythritol; object_uuid=fo-d5dcfa0c4a069a29
`cas_match_labels`	`None`	`{'67762-52-1': 'exactMatch'}`	group_key=dipentaerythritolhexaestersofpentanoic,heptanoicand3,5,5trimethylhexanoicacid\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'67762-52-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d5dcfa0c4a069a29: {'67762-52-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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