CAS 3319-31-1 Tris(2-Ethylhexyl) Trimellitate

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Tris(2-Ethylhexyl) Trimellitate

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Catalog Number

ACM3319311-1

CAS Number

3319-31-1

Product Name

Tris(2-Ethylhexyl) Trimellitate

Structure

Category

Plastic Additives; Plasticizers

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

EC Number

222-020-0;617-369-4

Exact Mass

546.392039g/mol

Formal Charge

Heavy Atom Count

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

Stability

Stable under recommended storage conditions.

UNII

378539Q830

Vapor Pressure

3.8X10-6 mm Hg at 25 °C (est)

XLogP3

10.4

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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