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Diethyl phthalate

Catalog Number
ACM84662
CAS Number
84-66-2
Product Name
Diethyl phthalate
Structure
Category
Plastic Additives; Plasticizers
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
Assay
0.99
Color/Form
Colorless oily liquid;Colorless to water-white, oily liquid.
Complexity
223
Covalently-Bonded Unit Count
1
EC Number
201-550-6;273-520-0
Exact Mass
222.08920892
Formal Charge
0
Heat of Vaporization
170 BTU/LB= 96 CAL/G= 4.0X10+5 J/KG
Heavy Atom Count
16
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
6
RTECS Number
TI1050000
Stability
Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, alkalies.
Storage Conditions
2-8 °C
Topological Polar Surface Area
52.6 Ų
UNII
UF064M00AF
UN Number
3082
Vapor Density
7.66 (NTP, 1992) (Relative to Air);Relative vapor density (air = 1): 7.7;7.66
Vapor Pressure
1 mm Hg at 227.8 °F ; 5 mm Hg at 285.3° F (NTP, 1992);0.00 mmHg;2.1X10-3 mm Hg at 25 °C;0.002 mmHg;(77°F): 0.002 mmHg
Viscosity
31.3 centistokes at 0 °C
XLogP3
2.5
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