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Propane-1,2,3-triyl Tris(3,5,5-trimethylhexanoate)

UUID fcf42ffc-7578-4175-b00a-8751ad54b667
Flow Object IDfo-ff8f0672c3a64108
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 56554-53-1
EC Numbers 260-257-1
prefLabel
Language Value Provenance
en Propane-1,2,3-triyl Tris(3,5,5-trimethylhexanoate)
altLabel ⓘ
Language Value Provenance
en Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester
References
Shared Properties
Predicate Value
InChIKey FOHDPKZXJXMQGV-UHFFFAOYSA-N, QNESDXMHQYMNGD-UHFFFAOYSA-N, VGCRRRJKYKKCPO-UHFFFAOYSA-N
InChI InChI=1S/C12H20O2/c1-8(5-11(2,3)4)12-6-9(12)7-14-10(12)13/h8-9H,5-7H2,1-4H3, InChI=1S/C13H20N4O3.2ClH/c18-13(11-4-2-1-3-5-11)14-12-10-17(15-20-12)16-6-8-19-9-7-16;;/h10-11H,1-9H2;2*1H, InChI=1S/C30H56O6/c1-21(16-28(4,5)6)13-25(31)34-19-24(36-27(33)15-23(3)18-30(10,11)12)20-35-26(32)14-22(2)17-29(7,8)9/h21-24H,13-20H2,1-12H3
IUPAC name 1-(1,3,3-trimethylbutyl)-3-oxabicyclo[3.1.0]hexan-2-one, 1-(4,4-dimethylpentan-2-yl)-3-oxabicyclo[3.1.0]hexan-2-one, 2,3-bis(3,5,5-trimethylhexanoyloxy)propyl 3,5,5-trimethylhexanoate, 3,5,5-trimethylhexanoic acid 2,3-bis(3,5,5-trimethyl-1-oxohexoxy)propyl ester, 3,5,5-trimethylhexanoic acid 2,3-bis(3,5,5-trimethylhexanoyloxy)propyl ester, N-(3-morpholin-4-yl-1,2,3-oxadiazol-3-ium-5-yl)cyclohexanecarboxamide;chloride;hydrochloride, N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)cyclohexanecarboxamide;chloride;hydrochloride, N-(3-morpholinooxadiazol-3-ium-5-yl)cyclohexanecarboxamide;chloride;hydrochloride, N-[3-(4-morpholinyl)-5-oxadiazol-3-iumyl]cyclohexanecarboxamide;chloride;hydrochloride
Molecular formula C12H20O2, C13H22Cl2N4O3, C30H56O6
SMILES C1CCC(CC1)C(=O)NC2=C[N+](=NO2)N3CCOCC3.Cl.[Cl-], CC(CC(=O)OCC(COC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C, CC(CC(C)(C)C)C12CC1COC2=O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fcf42ffc-7578-4175-b00a-8751ad54b667 propane-1,2,3-triyl tris(3,5,5-trimethylhexanoate)

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 propane-1,2,3-triyl tris(3,5,5-trimethylhexanoate) Emissions/Emissions to air/Emissions to air, 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=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108
cas_match_labels 1 — consensus_match group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56554-53-1', 'https://commonchemistry.cas.org/detail?cas_rn=56554-53-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108
cas_match_labels None {'56554-53-1': 'exactMatch'} group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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