CAS 84-66-2 Diethyl Phthalate, NF - Materials / Alfa Chemistry

NAVIGATION

Diethyl Phthalate, NF

PRICE INQUIRY

Catalog Number

ACM84662-1

CAS Number

84-66-2

Product Name

Diethyl Phthalate, NF

Structure

Category

Plasticizers

Description

Diethyl phthalate appears as a clear, colorless liquid without significant odor. More dense than water and insoluble in water. Hence sinks in water. Primary hazard is to the environment. Spread to the environment should be immediately stopped. Easily penetrates soil, contaminates groundwater and nearby waterways. Flash point 325°F. Severely irritates eyes and mildly irritates skin. Used in the manufacture of perfumes, plastics, mosquito repellents and many other products.;Liquid;COLOURLESS OILY LIQUID.;Colorless to water-white, oily liquid with a very slight, aromatic odor.;Colorless to water-white, oily liquid with a very slight, aromatic odor. [pesticide]

IUPAC Name

diethyl benzene-1,2-dicarboxylate

Molecular Weight

222.24g/mol

Molecular Formula

C6H4(COOC2H5)2;C12H14O4;C12H14O4

Canonical SMILES

CCOC(=O)C1=CC=CC=C1C(=O)OCC

InChI

InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3

InChI Key

FLKPEMZONWLCSK-UHFFFAOYSA-N

Boiling Point

568 °F at 760 mm Hg (NTP, 1992);295.0 °C;295 °C;295 °C;563°F;563°F

Melting Point

27 °F (NTP, 1992);-40.5 °C;-40.5 °C;-67 - -44 °C;-41°F;-41°F

Flash Point

284 °F (NTP, 1992);322 °F (161 °C) (Open cup);117 °C c.c.;284°F;(oc) 322°F

Density

1.12 at 68 °F (USCG, 1999);1.120 at 25 °C/25 °C;Relative density (water = 1): 1.1;1.12;1.12

Solubility

less than 1 mg/mL at 66° F (NTP, 1992);0.00 M;Miscible with ethanol, ethyl ether. Soluble in acetone, benzene, carbon tetrachloride;MISCIBLE WITH VEGETABLE OILS;Miscible with alcohols, ketones, esters, aromatic hydrocarbons; partly miscible with aliphatic solvents;Miscible with many organic solvents;In water, 1,080 mg/L at 25 °C;Solubility in water at 25 °C: none;(77°F): 0.1%

Color/Form

Colorless oily liquid;Colorless to water-white, oily liquid.

Complexity

223

Covalently-Bonded Unit Count

EC Number

201-550-6;273-520-0

Exact Mass

222.089209g/mol

Formal Charge

Heat of Vaporization

170 BTU/LB= 96 CAL/G= 4.0X10+5 J/KG

Heavy Atom Count

ICSC Number

0258

Log P

2.42 (LogP);log Kow = 2.47;2.47

MeSH Entry Terms

diethyl phthalate;phthalic acid diethyl ester

Monoisotopic Mass

222.089209g/mol

NSC Number

8905

Odor

Practically odorless;Odorless;Very slight, aromatic odor.

Other Experimental

LIQUID-WATER INTERFACE TENSION: 16.27 DYNES/CM= 0.01627 N/M @ 20.5 °C;Wt/gal approx 9.31 lb at 20 °C;Density: 1.232 at 14 °C/4 °C. Index of refraction: 1.5049 at 14 °C/D;Conversion: 9.07 mg/cu m = 1 ppm;... 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 = 6.10X10-7 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 3.47X10-12 cu cm/molec-sec at 25 °C (est)

Refractive Index

Index of refraction: 1.5002 at 25 °C/D

Rotatable Bond Count

RTECS Number

TI1050000

Stability

STABLE TO LIGHT

UNII

UF064M00AF

UN Number

3082

Vapor Density