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

UUID 22032b1d-e590-4229-95b1-8df948a5beaf
Flow Object IDfo-d5dcfa0c4a069a29
Source EF 3.1
Context Environmental → Air → Ground level → Rural (<1000 people/square mile)
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/c4*1-3-5-8(10)7(4-2)6-9;/h4*7-8H,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 22032b1d-e590-4229-95b1-8df948a5beaf 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 air/Emissions to air, unspecified (long-term) 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

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityRural (<1000 people/square mile)

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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