CAS 84-66-2 Diethyl phthalate - Materials / Alfa Chemistry

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Plastic Additives

Diethyl phthalate

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Catalog Number

ACM84662

Product Name

Diethyl phthalate

Structure

CAS

84-66-2

Category

Plastic Additives

Synonyms

Diethyl-1,2-benzenedicarboxylate

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

222.24

Molecular Formula

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

298-299 °C

Melting Point

-3 °C

Flash Point

>230 °F

Purity

95%+

Density

1.12 g/mL at 25 °C(lit.)

Solubility

Practically insoluble in water, miscible with ethanol

Appearance

Water-white to colorless, odorless, oily liquid

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

222.08920892

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

MDL Number

MFCD00009111

MeSH Entry Terms

diethyl phthalate;phthalic acid diethyl ester

Monoisotopic Mass

222.08920892

NSC Number

8905

Odor

Practically odorless

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)

Packaging

1 kg

Refractive Index

n20/D 1.502(lit.)

Rotatable Bond Count

RTECS Number

TI1050000

Stability

Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, alkalies.

Storage Conditions

2-8 °C

Topological Polar Surface Area