Di-(2-Ethylhexyl) Terephthalate - Materials / Alfa Chemistry

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Di-(2-Ethylhexyl) Terephthalate

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Catalog Number

ACMA00016904

Product Name

Di-(2-Ethylhexyl) Terephthalate

Category

Polymers

Description

Liquid; PelletsLargeCrystals, Liquid

IUPAC Name

bis(2-ethylhexyl) benzene-1,4-dicarboxylate

Molecular Weight

390.6g/mol

Molecular Formula

C24H38O4

Canonical SMILES

CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC

InChI

InChI=1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3

InChI Key

RWPICVVBGZBXNA-UHFFFAOYSA-N

Boiling Point

383.0 °C;383 °C

Melting Point

-48.0 °C;-48 °C

Flash Point

238 °C or 460 °F (open cup)

Density

0.9825 at 20/20 °C

Solubility

In water, 4.0 mg/L at 20 °C

Complexity

386

Covalently-Bonded Unit Count

EC Number

229-176-9

Exact Mass

390.27701g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow = 8.39 (est)

MeSH Entry Terms

1,4-DEHT;di-(2-ethylhexyl) terephthalate

Monoisotopic Mass

390.27701g/mol

Other Experimental

Phthalate esters would be expected to have UV maxima in the 230 nm and 270 nm regions. /Phthalate esters/;The lower esters are colorless, mobile, and highly volatile liquids that usually have pleasant odors. As the molecular mass increases, volatility decreases and the consistency becomes waxy, then solid, and eventually even brittle, often with formation of lustrous crystals. /Esters, organic/;... Resistance to migration from polymers, low temperature flexibility ... compatibility with polar polymers and additives over a wide range of compositions. /Phthalate esters/;Henry's Law constant = 1.02X10-5 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 2.20X10-11 cu cm/molec-sec at 25 °C (est)

Refractive Index

Index of refraction = 1.4867 at 20 °C/D

Rotatable Bond Count

UNII

4VS908W98L

Vapor Density

13.5 (Air = 1)

Vapor Pressure

2.14X10-5 mm Hg at 25 °C (est)

Viscosity

63 cp at 25 °C

XLogP3