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

UUID 7e9b89b0-43ad-407e-ada6-e59f63c8e2ac
Flow Object IDfo-d5c50327dd2b1ebe
Source EF 3.1
Context Environmental → Water → Ocean
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/c2*1-2-3-4-5-6-7-8(9)10;1-5(2,3-6)4-7/h2*2-7H2,1H3,(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 7e9b89b0-43ad-407e-ada6-e59f63c8e2ac 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 water/Emissions to sea water 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

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

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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