CAS 75359-31-8 Ditridecyl Phthalate, (mixture of branched chain isomers)

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Ditridecyl Phthalate, (mixture of branched chain isomers)

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Catalog Number

ACM75359318-1

CAS Number

75359-31-8

Product Name

Ditridecyl Phthalate, (mixture of branched chain isomers)

Structure

Category

Plasticizers

Description

Nearly colorless oily liquid. Floats on water. (USCG, 1999);Liquid

IUPAC Name

ditridecyl benzene-1,2-dicarboxylate

Molecular Weight

530.8g/mol

Molecular Formula

C34H58O4

Canonical SMILES

CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCCC

InChI

InChI=1S/C34H58O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-37-33(35)31-27-23-24-28-32(31)34(36)38-30-26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22,25-26,29-30H2,1-2H3

InChI Key

YCZJVRCZIPDYHH-UHFFFAOYSA-N

Boiling Point

greater than 545 °F at 5 mm Hg (NTP, 1992);285 °C at 3.5 mm Hg

Melting Point

less than -34.6 °F (USCG, 1999)

Flash Point

460 °F (NTP, 1992);470 °F (open cup);470 °F (243 °C) (Open cup)

Density

0.951 (USCG, 1999);0.952 g/cu cm at 25 °C

Solubility

In water, 1.48X10-9 mg/L at 25 °C (est)

Color/Form

Liquid

Complexity

499

Covalently-Bonded Unit Count

EC Number

204-294-3

Exact Mass

530.43351g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow = 13.45 (est)

Monoisotopic Mass

530.43351g/mol

Other Experimental

Pour point -37 °C;Vapor pressure for phthalate esters are extremely low, contributing much to their thermal stability in plastics. /Phthalate esters/;IN GENERAL THEY ARE LIQUIDS OF LOW VOLATILITY, COLORLESS OR VERY SLIGHTLY COLORED, & ONLY VERY SLIGHTLY SOL IN WATER. /PHTHALIC ESTERS/;... Resistance to migration from polymers, low temperature flexibility ... compatibility with polar polymers and additives over a wide range of compositions. /Phthalate esters/;Phthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters/;Phthalate esters would be expected to have UV maxima in the 230 nm and 270 nm regions. /Phthalate esters/;Henry's Law constant = 2.23X10-4 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 3.47X10-11 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

UNII

I7417R3544

Vapor Pressure

2.51X10-11 mm Hg at 25 °C (est)

Viscosity

190 cP at 25 °C

XLogP3

14.5

MSDS

Download MSDS

COA