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Tris(2-Ethylhexyl) Trimellitate

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Catalog NumberACM3319311-1

CAS Number3319-31-1

CategoryPlastic Additives; Plasticizers

Tris(2-Ethylhexyl) Trimellitate
Synonyms
1,2,4-Benzenetricarboxylic Acid Tris(2-ethylhexyl) Ester
Description
Tris(2-ethylhexyl) trimellitate is a yellow oily liquid. (NTP, 1992);DryPowder; Liquid; PelletsLargeCrystals; PelletsLargeCrystals, Liquid
IUPAC Name
tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate
Molecular Weight
546.78
Molecular Formula
C33H54O6
Canonical SMILES
CCCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC
InChI
InChI=1S/C33H54O6/c1-7-13-16-25(10-4)22-37-31(34)28-19-20-29(32(35)38-23-26(11-5)17-14-8-2)30(21-28)33(36)39-24-27(12-6)18-15-9-3/h19-21,25-27H,7-18,22-24H2,1-6H3
InChI Key
KRADHMIOFJQKEZ-UHFFFAOYSA-N
Boiling Point
414 °C
Melting Point
-46 °C
Flash Point
greater than 200 °F (NTP, 1992);263 °C (505 °F) (Closed cup)
Purity
97%
Solubility
less than 1 mg/mL at 68° F (NTP, 1992);In water, 3.9X10-4 mg/L at 25 °C
Color/Form
Yellow oily liquid
Complexity
677
Covalently-Bonded Unit Count
1
EC Number
222-020-0;617-369-4
Exact Mass
546.392039g/mol
Formal Charge
0
Heavy Atom Count
39
Log P
log Kow = 5.94
MeSH Entry Terms
Kodaflex TOTM;TEHM;tri-(2-ethylhexyl) trimellitate;tri-(2-ethylhexyl)trimellitate;tris(2-ethylhexyl)trimellitate
Monoisotopic Mass
546.392039g/mol
Other Experimental
Henry's Law constant = 4.45X10-7 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 3.28X10-11 cu cm/molec-sec at 25 °C (est)
Rotatable Bond Count
24
Stability
Stable under recommended storage conditions.
UNII
378539Q830
Vapor Pressure
3.8X10-6 mm Hg at 25 °C (est)
XLogP3
10.4
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