Dioctyl Phthalate - Materials / Alfa Chemistry

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Dioctyl Phthalate

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Catalog Number

ACMA00016948

Product Name

Dioctyl Phthalate

Category

Polymers

Description

Di-n-octyl phthalate appears as a clear liquid with a mild odor. Slightly less dense than water and insoluble in water. Hence floats on water. Flash point 430°F. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. As a liquid, can easily penetrate the soil and contaminate groundwater and nearby streams. Eye contact may produce severe irritation and direct skin contact may produce mild irritation. Used in the manufacture of a variety of plastics and coating products.;Liquid; PelletsLargeCrystals, Liquid;A clear liquid with a mild odor.

IUPAC Name

dioctyl benzene-1,2-dicarboxylate

Molecular Weight

390.6g/mol

Molecular Formula

C24H38O4

Canonical SMILES

CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC

InChI

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

InChI Key

MQIUGAXCHLFZKX-UHFFFAOYSA-N

Boiling Point

428 °F at 760 mm Hg (NTP, 1992);428°F

Melting Point

-13 °F (NTP, 1992);25 °C;-13°F

Flash Point

219 °F (NTP, 1992);420 °F (215 °C) (Open cup);219°F

Density

0.98 at 77 °F (USCG, 1999);Specific gravity: 0.978 at 20 °C;0.98

Solubility

less than 1 mg/mL at 66° F (NTP, 1992);5.63e-08 M;In water, 0.022 mg/L at 25 °C

Color/Form

Clear, oily liquid;Liquid at room temperature

Complexity

369

Covalently-Bonded Unit Count

EC Number

271-085-1;204-214-7;617-053-6

Exact Mass

390.27701g/mol

Formal Charge

Heavy Atom Count

Log P

8.1 (LogP);log Kow = 8.10

MeSH Entry Terms

Bis(2-ethylhexyl)phthalate;DEHP;Di 2 Ethylhexylphthalate;Di(2-ethylhexyl)phthalate;Di-2-Ethylhexylphthalate;Diethylhexyl Phthalate;Dioctyl Phthalate;Phthalate, Diethylhexyl;Phthalate, Dioctyl

Monoisotopic Mass

390.27701g/mol

NSC Number

15318

Other Experimental

BP: 220 °C at 2 mm Hg;VP: 2.60X10-6 mm Hg at 25 °C;Volatility of di-n-octyl phthalate from polyvinyl chloride resin for 24 hr at 87 °C over activated charcoal was 2.2%.;Phthalate esters are soluble in many organic solvents and oils. /Phthalate esters/;Phthalate esters would be expected to have UV maxima in the 230 nm and 270 nm regions. /Phthalate esters/;... 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 = 2.57X10-6 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 2.06X10-11 cu cm/molec-sec at 25 °C (est)

Refractive Index

Index of refraction = 1.485 at 20 °C/D

Rotatable Bond Count

Stability

Stable under recommended storage conditions.

UNII

8X3RJ0527W

UN Number

3082;3082

Vapor Pressure

less than 0.2 mm Hg at 302 °F (NTP, 1992);1.00e-07 mmHg;1.0X10-7 mm Hg at 25 °C;<0.2 mmHg at 302°F

Viscosity