Decanoic Acid, Mixed Esters With Neopentyl Glycol And Octanoic Acid

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Decanoic Acid, Mixed Esters With Neopentyl Glycol And Octanoic Acid

UUID 33246de5-9f2e-4c25-9ca0-421d34a2e4e1

Deprecated yes

Replaced By 8c436495-6c19-4112-ab8f-7bff821acc48

Flow Object ID fo-a2d2216533f6546c

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 70693-32-2

EC Numbers 274-764-0

prefLabel

Language	Value	Provenance
`en`	`Decanoic Acid, Mixed Esters With Neopentyl Glycol And Octanoic Acid`

References

Shared Properties

Predicate	Value
InChIKey	`PDYOTPOJFZAOIS-UHFFFAOYSA-N, VRGOHWCLNWWDLI-UHFFFAOYSA-N, ZBFPZUMLGZJSNN-MDZDMXLPSA-N`
InChI	`InChI=1S/C10H20O2.C8H16O2.C5H12O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-5(2,3-6)4-7/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);6-7H,3-4H2,1-2H3, InChI=1S/C16H16O2/c1-17-15-7-3-5-13(11-15)9-10-14-6-4-8-16(12-14)18-2/h3-12H,1-2H3/b10-9+, InChI=1S/C21H40O4.2C10H20O2/c1-5-7-9-11-13-15-19(22)24-17-21(3,4)18-25-20(23)16-14-12-10-8-6-2;21-2-3-4-5-6-7-8-9-10(11)12/h5-18H2,1-4H3;22-9H2,1H3,(H,11,12)`
IUPAC name	`1-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]benzene, 1-methoxy-3-[(E)-2-(3-methoxyphenyl)vinyl]benzene, bis(decanoic acid);(2,2-dimethyl-3-octanoyloxy-propyl) octanoate, bis(decanoic acid);(2,2-dimethyl-3-octanoyloxypropyl) octanoate, bis(decanoic acid);octanoic acid [2,2-dimethyl-3-(1-oxooctoxy)propyl] ester, capric acid;caprylic acid (3-caprylyloxy-2,2-dimethyl-propyl) ester, capric acid;caprylic acid;2,2-dimethylpropane-1,3-diol, decanoic acid;2,2-dimethylpropane-1,3-diol;octanoic acid`
Molecular formula	`C16H16O2, C23H48O6, C41H80O8`
SMILES	`CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CC(C)(CO)CO, CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCC, COC1=CC=CC(=C1)/C=C/C2=CC(=CC=C2)OC, COC1=CC=CC(=C1)C=CC2=CC(=CC=C2)OC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`33246de5-9f2e-4c25-9ca0-421d34a2e4e1`	decanoic acid, mixed esters with neopentyl glycol and octanoic acid

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`cas_match_labels`	1	`—`	consensus_match	group_key=decanoicacid,mixedesterswithneopentylglycolandoctanoicacid\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-32-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a2d2216533f6546c: {'70693-32-2': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`cas_match_labels`	`None`	`{'70693-32-2': 'exactMatch'}`	group_key=decanoicacid,mixedesterswithneopentylglycolandoctanoicacid\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-32-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a2d2216533f6546c: {'70693-32-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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