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 e19e9bca-2e26-42ef-ab90-ec2eea90fc33

Flow Object ID fo-d5dcfa0c4a069a29

Source EF 3.1

Context Environmental → Water → 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	`e19e9bca-2e26-42ef-ab90-ec2eea90fc33`	dipentaerythritol hexaesters of pentanoic, heptanoic and 3,5,5 trimethylhexanoic acid

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	dipentaerythritol hexaesters of pentanoic, heptanoic and 3,5,5 trimethylhexanoic acid	Emissions/Emissions to water/Emissions to water, unspecified	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=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	Water
water_body	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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