1,2,3-Propanetricar...

1,2,3-Propanetricarboxylicacid, 1,2,3-tris(2-ethylhexyl) ester 5400-99-7

1,2,3-Propanetricarboxylicacid, 1,2,3-tris(2-ethylhexyl) ester 5400-99-7

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  • Min.Order :1 Kilogram
  • Purity: 99%
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Keywords

1,2,3-Propanetricarboxylicacid, 1,2,3-tris(2-ethylhexyl) ester 5400-99-7 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

【Name】
1,2,3-Propanetricarboxylicacid, 1,2,3-tris(2-ethylhexyl) ester
【Iupac name】
tris(2-ethylhexyl) propane-1,2,3-tricarboxylate
【CAS Registry number】
5400-99-7
【Synonyms】
1,2,3-Propanetricarboxylicacid, tris(2-ethylhexyl) ester (9CI)
Tricarballylic acid, tris(2-ethylhexyl)ester (5CI)
NSC 2417
Tris(2-ethylhexyl) 1,2,3-propanetricarboxylate
【Molecular Formula】
C30H56 O6 (Products with the same molecular formula)
【Molecular Weight】
512.762
【Inchi】
InChI=1/C30H56O6/c1-7-13-16-24(10-4)21-34-28(31)19-27(30(33)36-23-26(12-6)18-15-9-3)20-29(32)35-22-25(11-5)17-14-8-2/h24-27H,7-23H2,1-6H3
【Canonical SMILES】
CCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC
Chemical and Physical Properties
【Density】
0.957g/cm3
【Boiling Point】
552.8°C at 760 mmHg
【Refractive Index】
1.458
【Flash Point】
225.7°C
【Computed Properties】
Molecular Weight:512.76204 [g/mol]
Molecular Formula:C30H56O6
XLogP3-AA:9.1
H-Bond Donor:0
H-Bond Acceptor:6
Rotatable Bond Count:26
Exact Mass:512.40769
MonoIsotopic Mass:512.40769
Topological Polar Surface Area:78.9
Heavy Atom Count:36
Formal Charge:0
Complexity:542
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

 

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