Fatty Acids, C5-9, Tetraesters With 2,2-bis(hydroxymethyl)1,3-propanediol

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Fatty Acids, C5-9, Tetraesters With 2,2-bis(hydroxymethyl)1,3-propanediol

UUID f36b88cf-68ab-414e-a0f9-0e30ad015a2a

Flow Object ID fo-f70bcfeb69c57932

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

CAS Numbers 67762-53-2

EC Numbers 267-022-2

prefLabel

Language	Value	Provenance
`en`	`Fatty Acids, C5-9, Tetraesters With 2,2-bis(hydroxymethyl)1,3-propanediol`

altLabel ⓘ

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

References

Shared Properties

Predicate	Value
InChIKey	`KYHBJUCZZYAJIQ-UHFFFAOYSA-N, PIZFEKJNYKNABG-UHFFFAOYSA-N`
InChI	`InChI=1S/C16H18N2O5/c1-9(2)7-12(16(22)23)17-13(19)8-18-14(20)10-5-3-4-6-11(10)15(18)21/h3-6,9,12H,7-8H2,1-2H3,(H,17,19)(H,22,23), InChI=1S/C33H68O4/c1-5-9-13-17-21-25-34-29-33(30-35-26-22-18-14-10-6-2,31-36-27-23-19-15-11-7-3)32-37-28-24-20-16-12-8-4/h5-32H2,1-4H3`
IUPAC name	`1-[3-heptoxy-2,2-bis(heptoxymethyl)propoxy]heptane, 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-4-methyl-pentanoic acid, 2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-4-methylpentanoic acid, 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylpentanoic acid, 2-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]-4-methyl-pentanoic acid, 4-methyl-2-[(2-phthalimidoacetyl)amino]valeric acid`
Molecular formula	`C16H18N2O5, C33H68O4`
SMILES	`CC(C)CC(C(=O)O)NC(=O)CN1C(=O)C2=CC=CC=C2C1=O, CCCCCCCOCC(COCCCCCCC)(COCCCCCCC)COCCCCCCC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`f36b88cf-68ab-414e-a0f9-0e30ad015a2a`	fatty acids, c5-9, tetraesters with 2,2-bis(hydroxymethyl)1,3-propanediol

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	fatty acids, c5-9, tetraesters with 2,2-bis(hydroxymethyl)1,3-propanediol	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=fattyacids,c5-9,tetraesterswith2,2-bis(hydroxymethyl)1,3-propanediol\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=67762-53-2; added Common Chemistry CAS names as altLabel: Carboxylic acids, C<sub>5-9</sub>, tetraesters with pentaerythritol, Fatty acids, C<sub>5-9</sub>, tetraesters with pentaerythritol; object_uuid=fo-f70bcfeb69c57932
`cas_match_labels`	1	`—`	consensus_match	group_key=fattyacids,c5-9,tetraesterswith2,2-bis(hydroxymethyl)1,3-propanediol\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'67762-53-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f70bcfeb69c57932: {'67762-53-2': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Rural (<1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': 'Carboxylic acids, C<sub>5-9</sub>, tetraesters with pentaerythritol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67762-53-2', 'https://commonchemistry.cas.org/detail?cas_rn=67762-53-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fatty acids, C<sub>5-9</sub>, tetraesters with pentaerythritol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67762-53-2', 'https://commonchemistry.cas.org/detail?cas_rn=67762-53-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=fattyacids,c5-9,tetraesterswith2,2-bis(hydroxymethyl)1,3-propanediol\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=67762-53-2; added Common Chemistry CAS names as altLabel: Carboxylic acids, C<sub>5-9</sub>, tetraesters with pentaerythritol, Fatty acids, C<sub>5-9</sub>, tetraesters with pentaerythritol; object_uuid=fo-f70bcfeb69c57932
`cas_match_labels`	`None`	`{'67762-53-2': 'exactMatch'}`	group_key=fattyacids,c5-9,tetraesterswith2,2-bis(hydroxymethyl)1,3-propanediol\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'67762-53-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f70bcfeb69c57932: {'67762-53-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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