Cas no 126121-35-5 (1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tris(2-octyldodecyl) ester)
126121-35-5 structure
Product Name:1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tris(2-octyldodecyl) ester
CAS No:126121-35-5
MF:C66H128O7
MW:1033.71834278107
CID:134621
PubChem ID:20643440
Update Time:2025-04-19
1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tris(2-octyldodecyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tris(2-octyldodecyl) ester
- 2-[2-(9,10-dioctylicosan-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioate
- ACMC-20mrty
- AG-D-54882
- CTK4B4964
- Tris(2-octyldodecyl) citrate
- TRIOCTYLDODECYL CITRATE
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tris(2-octyldodecyl) ester
- tris(2-octyldodecyl) 2-hydroxypropane-1,2,3-tricarboxylate
- Siltech CE-2000
- Q27256491
- Lambent CE 2000
- 126121-35-5
- 35X8CT063R
- Pelemol TGC
- 2-Hydroxy-1,2,3-propanetricarboxylic acid, tris(2-octyldodecyl)ester
- SCHEMBL16109120
- G-66 Guerbet ester
- TRIOCTYLDODECYL CITRATE [INCI]
- Citmol 320
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tris(2-octyldodecyl) ester
- Tri-(2-octyldodecyl) citrate
- DTXSID70925418
- UNII-35X8CT063R
-
- Inchi： 1S/C66H128O7/c1-7-13-19-25-31-34-40-46-51-60(49-43-37-28-22-16-10-4)57-71-63(67)55-66(70,65(69)73-59-62(53-45-39-30-24-18-12-6)54-48-42-36-33-27-21-15-9-3)56-64(68)72-58-61(50-44-38-29-23-17-11-5)52-47-41-35-32-26-20-14-8-2/h60-62,70H,7-59H2,1-6H3
- InChI Key： BIEMOBPNIWQLMF-UHFFFAOYSA-N
- SMILES： O(C(C(CC(=O)OCC(CCCCCCCC)CCCCCCCCCC)(CC(=O)OCC(CCCCCCCC)CCCCCCCCCC)O)=O)CC(CCCCCCCC)CCCCCCCCCC
Computed Properties
- Exact Mass: 696.59000
- Monoisotopic Mass: 1032.96600642g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 73
- Rotatable Bond Count: 62
- Complexity: 1110
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 27.8
- Topological Polar Surface Area: 99.1?2
Experimental Properties
- Density: 0.917
- Boiling Point: 883.3°C at 760 mmHg
- Flash Point: 209.9°C
- Refractive Index: 1.47
- PSA: 88.13000
- LogP: 12.15400
1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tris(2-octyldodecyl) ester Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
126121-35-5 (1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tris(2-octyldodecyl) ester) Related Products
- 77-93-0(Triethyl citrate)
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