2,2-dimethylpropane-1,3-diyl Dioctanoate

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2,2-dimethylpropane-1,3-diyl Dioctanoate

UUID 88e6c312-716e-42b6-9f63-0cc855d6a488

Flow Object ID fo-d5c50327dd2b1ebe

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 31335-74-7

EC Numbers 250-575-9

prefLabel

Language	Value	Provenance
`en`	`2,2-dimethylpropane-1,3-diyl Dioctanoate`

altLabel ⓘ

Language	Value	Provenance
`en`	`2,2-Dimethyl-1,3-propanediyl dioctanoate`
`en`	`Neopentyl glycol dicaprylate`
`en`	`Neopentyl glycol dioctoate`
`en`	`Neopentylglycol dioctanoate`
`en`	`Octanoic acid, 1,1′-(2,2-dimethyl-1,3-propanediyl) ester`
`en`	`Octanoic acid, 2,2-dimethyl-1,3-propanediyl ester`
`en`	`Octanoic acid, 2,2-dimethyltrimethylene ester`

References

Shared Properties

Predicate	Value
InChIKey	`CITKFXWBZSEFLW-UHFFFAOYSA-N, FFRCALWQHTZERU-UHFFFAOYSA-N, WFXHUBZUIFLWCV-UHFFFAOYSA-N`
InChI	`InChI=1S/2C8H16O2.C5H12O2/c21-2-3-4-5-6-7-8(9)10;1-5(2,3-6)4-7/h22-7H2,1H3,(H,9,10);6-7H,3-4H2,1-2H3, InChI=1S/C21H40O4/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/h5-18H2,1-4H3, InChI=1S/C22H42O2.C16H30O2.C8H9N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3;1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-3-8-5-4-7(2)9-6-8/h2,4-20H2,1,3H3;2,4-14H2,1,3H3;3-6H,1H2,2H3`
IUPAC name	(2,2-dimethyl-3-octanoyloxy-propyl) octanoate, (2,2-dimethyl-3-octanoyloxypropyl) octanoate, 2,2-dimethylpropane-1,3-diol;bis(octanoic acid), 2-methylacrylic acid lauryl ester;2-methylacrylic acid stearyl ester;2-methyl-5-vinyl-pyridine, 5-ethenyl-2-methylpyridine;2-methyl-2-propenoic acid dodecyl ester;2-methyl-2-propenoic acid octadecyl ester, caprylic acid (3-caprylyloxy-2,2-dimethyl-propyl) ester, caprylic acid;2,2-dimethylpropane-1,3-diol, dodecyl 2-methylprop-2-enoate;2-methyl-5-vinyl-pyridine;octadecyl 2-methylprop-2-enoate, dodecyl 2-methylprop-2-enoate;5-ethenyl-2-methyl-pyridine;octadecyl 2-methylprop-2-enoate, dodecyl 2-methylprop-2-enoate;5-ethenyl-2-methylpyridine;octadecyl 2-methylprop-2-enoate, octanoic acid [2,2-dimethyl-3-(1-oxooctoxy)propyl] ester
Molecular formula	`C21H40O4, C21H44O6, C46H81NO4`
SMILES	`CCCCCCCC(=O)O.CCCCCCCC(=O)O.CC(C)(CO)CO, CCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCC, CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C.CCCCCCCCCCCCOC(=O)C(=C)C.CC1=NC=C(C=C1)C=C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`88e6c312-716e-42b6-9f63-0cc855d6a488`	2,2-dimethylpropane-1,3-diyl dioctanoate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2,2-dimethylpropane-1,3-diyl dioctanoate	Emissions/Emissions to air/Emissions to air, indoor	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=2,2-dimethylpropane-1,3-diyldioctanoate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=31335-74-7; added Common Chemistry CAS names as altLabel: 2,2-Dimethyl-1,3-propanediyl dioctanoate, Neopentyl glycol dicaprylate, Neopentyl glycol dioctoate, Neopentylglycol dioctanoate, Octanoic acid, 1,1′-(2,2-dimethyl-1,3-propanediyl) ester, Octanoic acid, 2,2-dimethyl-1,3-propanediyl ester, Octanoic acid, 2,2-dimethyltrimethylene ester; object_uuid=fo-d5c50327dd2b1ebe
`cas_match_labels`	1	`—`	consensus_match	group_key=2,2-dimethylpropane-1,3-diyldioctanoate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31335-74-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d5c50327dd2b1ebe: {'31335-74-7': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
indoor	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2,2-Dimethyl-1,3-propanediyl dioctanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31335-74-7', 'https://commonchemistry.cas.org/detail?cas_rn=31335-74-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Neopentyl glycol dicaprylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31335-74-7', 'https://commonchemistry.cas.org/detail?cas_rn=31335-74-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Neopentyl glycol dioctoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31335-74-7', 'https://commonchemistry.cas.org/detail?cas_rn=31335-74-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Neopentylglycol dioctanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31335-74-7', 'https://commonchemistry.cas.org/detail?cas_rn=31335-74-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Octanoic acid, 1,1′-(2,2-dimethyl-1,3-propanediyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31335-74-7', 'https://commonchemistry.cas.org/detail?cas_rn=31335-74-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Octanoic acid, 2,2-dimethyl-1,3-propanediyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31335-74-7', 'https://commonchemistry.cas.org/detail?cas_rn=31335-74-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Octanoic acid, 2,2-dimethyltrimethylene ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31335-74-7', 'https://commonchemistry.cas.org/detail?cas_rn=31335-74-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2,2-dimethylpropane-1,3-diyldioctanoate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=31335-74-7; added Common Chemistry CAS names as altLabel: 2,2-Dimethyl-1,3-propanediyl dioctanoate, Neopentyl glycol dicaprylate, Neopentyl glycol dioctoate, Neopentylglycol dioctanoate, Octanoic acid, 1,1′-(2,2-dimethyl-1,3-propanediyl) ester, Octanoic acid, 2,2-dimethyl-1,3-propanediyl ester, Octanoic acid, 2,2-dimethyltrimethylene ester; object_uuid=fo-d5c50327dd2b1ebe
`cas_match_labels`	`None`	`{'31335-74-7': 'exactMatch'}`	group_key=2,2-dimethylpropane-1,3-diyldioctanoate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31335-74-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d5c50327dd2b1ebe: {'31335-74-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "5-ethenyl-2-methylpyridine;2-methyl-2-propenoic acid dodecyl ester;2-methyl-2-propenoic acid octadecyl ester",
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