Dioctyl Phthalate - Materials / Alfa Chemistry

NAVIGATION

Dioctyl Phthalate

PRICE INQUIRY

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

Application

Dioctyl Phthalate is a colorless liquid primarily used as a phthalate ester and diester in various applications, serving as an essential plasticizer and additive. Its primary role lies in toxicology and risk assessment studies, particularly those evaluating the migration of phthalates into foodstuffs from food-contact materials. With a molecular weight of 390.62, a boiling point of 230°C under 5 mmHg, and a flash point of 215°C, Dioctyl Phthalate features an autoignition temperature of 390°C and is characterized by its limited explosive limits, with a lower explosive limit of 0.3% at 245°C. Rated based on the NFPA-704 M Rating System, it poses moderate health risks (Health 2), exhibits low flammability (Flammability 1), and shows no reactivity (Reactivity 0). Additionally, it is insoluble in water, making it a distinctive choice for its intended applications.

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