1,2,3-trihexyl 2-(butanoyloxy)propane-1,2,3-tricarboxylate

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1,2,3-trihexyl 2-(butanoyloxy)propane-1,2,3-tricarboxylate

UUID 7acd1600-85c8-4350-a0bc-9622918f24d1

Flow Object ID fo-98dbb1374de8c6a2

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 82469-79-2

EC Numbers 413-890-4

prefLabel

Language	Value	Provenance
`en`	`1,2,3-trihexyl 2-(butanoyloxy)propane-1,2,3-tricarboxylate`

altLabel ⓘ

Language	Value	Provenance
`en`	`1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 1,2,3-trihexyl ester`
`en`	`1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester`
`en`	`Butyryl tri-<em>n</em>-hexyl citrate`
`en`	`Butyryl trihexyl citrate`
`en`	`Citroflex B 6`
`en`	`Trihexyl butyrylcitrate`
`en`	`Trihexyl citrate butyrate`

References

Shared Properties

Predicate	Value
InChIKey	`DCTZJRUXIXPDJP-UHFFFAOYSA-N, GWVUTNGDMGTPFE-UHFFFAOYSA-N, PQTOLHHWLUCKSB-UHFFFAOYSA-N, PUKJJRGOSLWRNQ-UHFFFAOYSA-K, VWYPVBAZZXEGCV-UHFFFAOYSA-K`
InChI	InChI=1S/C16H15NO2/c1-19-15(18)12-17-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3, InChI=1S/C28H50O8/c1-5-9-12-15-19-26(23(30)31,20-16-13-10-6-2)28(36,25(34)35)27(24(32)33,22(29)18-8-4)21-17-14-11-7-3/h36H,5-21H2,1-4H3,(H,30,31)(H,32,33)(H,34,35)/p-3, InChI=1S/C28H50O8/c1-5-9-12-15-19-27(25(32)33,20-16-13-10-6-2)28(26(34)35,36-21-17-14-11-7-3)23(24(30)31)22(29)18-8-4/h23H,5-21H2,1-4H3,(H,30,31)(H,32,33)(H,34,35)/p-3, InChI=1S/C28H50O8/c1-5-9-12-15-19-33-25(30)22-28(36-24(29)18-8-4,27(32)35-21-17-14-11-7-3)23-26(31)34-20-16-13-10-6-2/h5-23H2,1-4H3, InChI=1S/C28H50O8/c1-5-9-12-15-19-34-24(30)22-28(33,27(32)36-21-17-14-11-7-3)25(23(29)18-8-4)26(31)35-20-16-13-10-6-2/h25,33H,5-22H2,1-4H3
IUPAC name	2-(1-oxobutoxy)propane-1,2,3-tricarboxylic acid trihexyl ester, 2-(benzhydrylideneamino)acetic acid methyl ester, 2-[(diphenylmethylene)amino]acetic acid methyl ester, 2-butyryloxypropane-1,2,3-tricarboxylic acid trihexyl ester, 2-hydroxy-4-keto-heptane-1,2,3-tricarboxylic acid trihexyl ester, 2-hydroxy-4-oxoheptane-1,2,3-tricarboxylic acid trihexyl ester, 6-hexoxy-7-hexyl-4-keto-tridecane-4,5,6-tricarboxylate, 6-hexoxy-7-hexyl-4-oxidanylidene-tridecane-4,5,6-tricarboxylate, 6-hexoxy-7-hexyl-4-oxo-tridecane-4,5,6-tricarboxylate, 6-hexoxy-7-hexyl-4-oxotridecane-4,5,6-tricarboxylate, 7-butanoyl-9-hexyl-8-hydroxy-pentadecane-6,7,8-tricarboxylate, 7-butanoyl-9-hexyl-8-hydroxypentadecane-6,7,8-tricarboxylate, 7-butanoyl-9-hexyl-8-oxidanyl-pentadecane-6,7,8-tricarboxylate, 7-butyryl-9-hexyl-8-hydroxy-pentadecane-6,7,8-tricarboxylate, 7-hexyl-8-hydroxy-9-(1-oxobutyl)pentadecane-6,7,8-tricarboxylate, methyl 2-(benzhydrylideneamino)acetate, methyl 2-[(diphenylmethylidene)amino]ethanoate, trihexyl 2-butanoyloxypropane-1,2,3-tricarboxylate, trihexyl 2-hydroxy-4-oxo-heptane-1,2,3-tricarboxylate, trihexyl 2-hydroxy-4-oxoheptane-1,2,3-tricarboxylate, trihexyl 2-oxidanyl-4-oxidanylidene-heptane-1,2,3-tricarboxylate
Molecular formula	`C16H15NO2, C28H47O8-3, C28H50O8`
SMILES	`CCCCCCC(CCCCCC)(C(=O)[O-])C(C(=O)[O-])(C(CCCCCC)(C(=O)CCC)C(=O)[O-])O, CCCCCCC(CCCCCC)(C(=O)[O-])C(C(C(=O)CCC)C(=O)[O-])(C(=O)[O-])OCCCCCC, CCCCCCOC(=O)CC(C(C(=O)CCC)C(=O)OCCCCCC)(C(=O)OCCCCCC)O, CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(C(=O)OCCCCCC)OC(=O)CCC, COC(=O)CN=C(C1=CC=CC=C1)C2=CC=CC=C2`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`7acd1600-85c8-4350-a0bc-9622918f24d1`	1,2,3-trihexyl 2-(butanoyloxy)propane-1,2,3-tricarboxylate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	1,2,3-trihexyl 2-(butanoyloxy)propane-1,2,3-tricarboxylate	Emissions/Emissions to water/Emissions to water, unspecified	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=1,2,3-trihexyl2-(butanoyloxy)propane-1,2,3-tricarboxylate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=82469-79-2; added Common Chemistry CAS names as altLabel: 1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 1,2,3-trihexyl ester, 1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester, Butyryl tri-<em>n</em>-hexyl citrate, Butyryl trihexyl citrate, Citroflex B 6, Trihexyl butyrylcitrate, Trihexyl citrate butyrate; object_uuid=fo-98dbb1374de8c6a2
`cas_match_labels`	1	`—`	consensus_match	group_key=1,2,3-trihexyl2-(butanoyloxy)propane-1,2,3-tricarboxylate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['pubchem']; cas_sources={'82469-79-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-98dbb1374de8c6a2: {'82469-79-2': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 1,2,3-trihexyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:82469-79-2', 'https://commonchemistry.cas.org/detail?cas_rn=82469-79-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:82469-79-2', 'https://commonchemistry.cas.org/detail?cas_rn=82469-79-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butyryl tri-<em>n</em>-hexyl citrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:82469-79-2', 'https://commonchemistry.cas.org/detail?cas_rn=82469-79-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butyryl trihexyl citrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:82469-79-2', 'https://commonchemistry.cas.org/detail?cas_rn=82469-79-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Citroflex B 6', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:82469-79-2', 'https://commonchemistry.cas.org/detail?cas_rn=82469-79-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trihexyl butyrylcitrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:82469-79-2', 'https://commonchemistry.cas.org/detail?cas_rn=82469-79-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trihexyl citrate butyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:82469-79-2', 'https://commonchemistry.cas.org/detail?cas_rn=82469-79-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=1,2,3-trihexyl2-(butanoyloxy)propane-1,2,3-tricarboxylate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=82469-79-2; added Common Chemistry CAS names as altLabel: 1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 1,2,3-trihexyl ester, 1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester, Butyryl tri-<em>n</em>-hexyl citrate, Butyryl trihexyl citrate, Citroflex B 6, Trihexyl butyrylcitrate, Trihexyl citrate butyrate; object_uuid=fo-98dbb1374de8c6a2
`cas_match_labels`	`None`	`{'82469-79-2': 'exactMatch'}`	group_key=1,2,3-trihexyl2-(butanoyloxy)propane-1,2,3-tricarboxylate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['pubchem']; cas_sources={'82469-79-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-98dbb1374de8c6a2: {'82469-79-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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