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2,2,4-trimethylpentane-1,3-diyl Bis(2-methylpropanoate)

UUID e774caa0-b1ab-4421-981a-86a90139b98c
Flow Object IDfo-733d86c2ec086937
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 6846-50-0
EC Numbers 229-934-9
prefLabel
Language Value Provenance
en 2,2,4-trimethylpentane-1,3-diyl Bis(2-methylpropanoate)
altLabel ⓘ
Language Value Provenance
en 1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate
en 1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate
en 2,2,4-Trimethyl-1,3-pentanediol 2-methylpropanoic acid diester
en 2,2,4-Trimethyl-1,3-pentanediol bis(isobutyrate)
en 2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate)
en 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
en 2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate
en 2,2,4-Trimethylpentane 1,3-diisobutanoate
en 2,2-Dimethyl-1-(1-methylethyl)-1,3-propanediyl bis(2-methylpropanoate)
en C 16
en CS 16
en Eastman OE 300
en Eastman TXIB
en Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester
en Kodaflex TXIB
en Kyowanol D
en Kyowanol M
en NX 800
en NX 800 (coalescing agent)
en OE 300
en Optifilm Enhancer 300
en Propanoic acid, 2-methyl-, 1,1′-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester
en Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester
en RTC 16
en TXIB
en Texanol OE 300
en Texanol isobutyrate
en [2,2,4-Trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
References
Shared Properties
Predicate Value
InChIKey JXOHZSPZKSGSBN-UHFFFAOYSA-L, JXOHZSPZKSGSBN-UHFFFAOYSA-N, OMVSWZDEEGIJJI-UHFFFAOYSA-N
InChI InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3, InChI=1S/C8H18O2.2C4H8O2/c1-6(2)7(10)8(3,4)5-9;2*1-3(2)4(5)6/h6-7,9-10H,5H2,1-4H3;2*3H,1-2H3,(H,5,6), InChI=1S/C8H18O2.2C4H8O2/c1-6(2)7(10)8(3,4)5-9;2*1-3(2)4(5)6/h6-7,9-10H,5H2,1-4H3;2*3H,1-2H3,(H,5,6)/p-2
IUPAC name 2,2,4-trimethylpentane-1,3-diol diisobutyrate, 2-methylpropanoic acid [2,2,4-trimethyl-3-(2-methyl-1-oxopropoxy)pentyl] ester, 2-methylpropionic acid (3-isobutyryloxy-2,2,4-trimethyl-pentyl) ester, [2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate, bis(2-methylpropanoate);2,2,4-trimethylpentane-1,3-diol, bis(2-methylpropanoic acid);2,2,4-trimethylpentane-1,3-diol, isobutyric acid;2,2,4-trimethylpentane-1,3-diol
Molecular formula C16H30O4, C16H32O6-2, C16H34O6
SMILES CC(C)C(C(C)(C)CO)O.CC(C)C(=O)O.CC(C)C(=O)O, CC(C)C(C(C)(C)CO)O.CC(C)C(=O)[O-].CC(C)C(=O)[O-], CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 e774caa0-b1ab-4421-981a-86a90139b98c 2,2,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate)

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2,2,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate) 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=2,2,4-trimethylpentane-1,3-diylbis(2-methylpropanoate)||dimension=Environmental > media=Ground > geography=Unknown; cas=6846-50-0; added Common Chemistry CAS names as altLabel: 1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate, 1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate, 2,2,4-Trimethyl-1,3-pentanediol 2-methylpropanoic acid diester, 2,2,4-Trimethyl-1,3-pentanediol bis(isobutyrate), 2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate), 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate, 2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate, 2,2,4-Trimethylpentane 1,3-diisobutanoate, 2,2-Dimethyl-1-(1-methylethyl)-1,3-propanediyl bis(2-methylpropanoate), C 16, CS 16, Eastman OE 300, Eastman TXIB, Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester, Kodaflex TXIB, Kyowanol D, Kyowanol M, NX 800, NX 800 (coalescing agent), OE 300, Optifilm Enhancer 300, Propanoic acid, 2-methyl-, 1,1′-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester, Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester, RTC 16, TXIB, Texanol OE 300, Texanol isobutyrate, [2,2,4-Trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate; object_uuid=fo-733d86c2ec086937
cas_match_labels 1 — consensus_match group_key=2,2,4-trimethylpentane-1,3-diylbis(2-methylpropanoate)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6846-50-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-733d86c2ec086937: {'6846-50-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2,4-Trimethyl-1,3-pentanediol 2-methylpropanoic acid diester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2,4-Trimethyl-1,3-pentanediol bis(isobutyrate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2,4-Trimethyl-1,3-pentanediol diisobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2,4-Trimethylpentane 1,3-diisobutanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2-Dimethyl-1-(1-methylethyl)-1,3-propanediyl bis(2-methylpropanoate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C 16', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CS 16', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Eastman OE 300', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Eastman TXIB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Kodaflex TXIB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Kyowanol D', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Kyowanol M', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NX 800', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NX 800 (coalescing agent)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'OE 300', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Optifilm Enhancer 300', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 2-methyl-, 1,1′-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'RTC 16', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TXIB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Texanol OE 300', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Texanol isobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '[2,2,4-Trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6846-50-0', 'https://commonchemistry.cas.org/detail?cas_rn=6846-50-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,2,4-trimethylpentane-1,3-diylbis(2-methylpropanoate)||dimension=Environmental > media=Ground > geography=Unknown; cas=6846-50-0; added Common Chemistry CAS names as altLabel: 1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate, 1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate, 2,2,4-Trimethyl-1,3-pentanediol 2-methylpropanoic acid diester, 2,2,4-Trimethyl-1,3-pentanediol bis(isobutyrate), 2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate), 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate, 2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate, 2,2,4-Trimethylpentane 1,3-diisobutanoate, 2,2-Dimethyl-1-(1-methylethyl)-1,3-propanediyl bis(2-methylpropanoate), C 16, CS 16, Eastman OE 300, Eastman TXIB, Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester, Kodaflex TXIB, Kyowanol D, Kyowanol M, NX 800, NX 800 (coalescing agent), OE 300, Optifilm Enhancer 300, Propanoic acid, 2-methyl-, 1,1′-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester, Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester, RTC 16, TXIB, Texanol OE 300, Texanol isobutyrate, [2,2,4-Trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate; object_uuid=fo-733d86c2ec086937
cas_match_labels None {'6846-50-0': 'exactMatch'} group_key=2,2,4-trimethylpentane-1,3-diylbis(2-methylpropanoate)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6846-50-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-733d86c2ec086937: {'6846-50-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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