CAS 27554-26-3 Diisooctyl phthalate - Materials / Alfa Chemistry

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Diisooctyl phthalate

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Catalog Number

ACM27554263-1

Product Name

Diisooctyl phthalate

Structure

CAS

27554-26-3

Category

Plastic Additives

Synonyms

Isooctyl phthalate

Description

Di-isooctyl phthalate is an oily colorless liquid with a slight ester odor. Denser than water. Insoluble in water. (USCG, 1999);Liquid;COLOURLESS VISCOUS LIQUID.

IUPAC Name

Bis(6-methylheptyl) benzene-1,2-dicarboxylate

Molecular Weight

390.6

Molecular Formula

C24H38O4

Canonical SMILES

CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C

InChI

InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3

InChI Key

IJFPVINAQGWBRJ-UHFFFAOYSA-N

Boiling Point

435.74 °C

Melting Point

-4°C

Flash Point

>230 °F

Purity

97%

Density

0.983 g/mL

Solubility

2.30e-07 M;... compatible with vinyl chloride resins and some cellulosic resins;In water, 9.0X10-2 mg/L at 25 °C;Solubility in water: none

Color/Form

Nearly colorless, viscous liquid

Complexity

390

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

EC Number

248-523-5

Exact Mass

390.27700969

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

ICSC Number

0876

Isotope Atom Count

Log P

log Kow = 8.39 (est);3-4 (estimated)

MeSH Entry Terms

diisooctyl phthalate;diisooctylphthalate

Monoisotopic Mass

390.27700969

Odor

Mild odor

Other Experimental

Bulk density: Wt/gal = 8.20 lb at 20 °C;Phthalate esters are soluble to various extents in many common organic solvents and oils. /Phthalate esters/;/VAPOR PRESSURE IS/ 1.0 MM HG @ 200 °C;... Resistance to migration from polymers, low temperature flexibility ... compatibility with polar polymers and additives over a wide range of compositions. /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 = 3.14X10-5 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 2.06X10-11 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

RTECS Number

TI1300000

Topological Polar Surface Area

52.6 Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

UNII

6A121LGB40

Vapor Density

13.5 (Air = 1);Relative vapor density (air = 1): 13.5

Vapor Pressure