CAS 84-76-4 Dinonyl Phthalate (mixture of isomers)

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Dinonyl Phthalate (mixture of isomers)

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Catalog Number

ACM84764

CAS Number

84-76-4

Product Name

Dinonyl Phthalate (mixture of isomers)

Structure

Category

Plastic Additives

Synonyms

Phthalic Acid Dinonyl Ester (mixture of isomers)

Description

Dinonyl phthalate is an odorless colorless liquid. (USCG, 1999);Liquid;Liquid

IUPAC Name

dinonyl benzene-1,2-dicarboxylate

Molecular Weight

418.62

Molecular Formula

C26H42O4

Canonical SMILES

CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC

InChI

InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3

InChI Key

DROMNWUQASBTFM-UHFFFAOYSA-N

Boiling Point

245 °C

Flash Point

220 °C

Purity

95%

Density

0.97 (USCG, 1999);0.972 at 20 °C

Solubility

In water, 1.73X10-5 mg/L at 25 °C (est);Insoluble in water

Color/Form

Colorless liquid

Complexity

395

Covalently-Bonded Unit Count

EC Number

271-087-2;201-560-0;272-012-6

Exact Mass

418.30831g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow = 9.52 (est)

MeSH Entry Terms

dinonylphthalate

Monoisotopic Mass

418.30831g/mol

Other Experimental

VP: 1 mm Hg at 205 °C;LOW GELLING POWER;... 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/;CONVERSION FACTOR: 17.09 MG/CU M = 1 PPM;Suspensions of adsorbents such as kaolin, palygorskite, halloysite and silica were found to readily adsorb di-n-nonylphthalate (DnNP) from solutions of toluene. The phthalate ester formed a monolayer on the adsorbent.;Phthalate esters would be expected to have UV maxima in the 230 nm and 270 nm regions. /Phthalate esters/;Most phthalate esters have a relatively high calculated log octanol/water partition coefficient > 2.12 indicating that they are lipophilic. /Phthalate esters/;Henry's Law constant = 1.41X10-5 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 2.34X10-11 cu cm/molec-sec at 25 °C (est)

Refractive Index

Index of refraction: 1.4871 at 20 °C/D

Rotatable Bond Count

UNII

90UCU78V8R

Vapor Pressure

5.14X10-7 mm Hg at 25 °C (est)

Viscosity

112 cP at 20 °C

XLogP3

10.1

MSDS