Diethyl phthalate

• CAS: 84-66-2
• Catalog Number: ACM84662
• Category: Polymer/Macromolecule
• Molecular Weight: 222.24
• Molecular Formula: C12H14O4
• 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]
• Synonyms: Diethyl-1,2-benzenedicarboxylate
• IUPAC Name: Diethyl benzene-1,2-dicarboxylate
• 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
• 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
• Active Content: 95%
• Alpha Sort: Diethyl phthalate
• Assay: 0.99
• Autoignition Temperature: 855 °F (USCG, 1999);855 °F (457 °C);457 °C
• Color/Form: Colorless oily liquid;Colorless to water-white, oily liquid.
• Complexity: 223
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomp it emits acrid smoke and irritating fumes.
• EC Number: 201-550-6;273-520-0
• Exact Mass: 222.08920892
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heat of Vaporization: 170 BTU/LB= 96 CAL/G= 4.0X10+5 J/KG
• Heavy Atom Count: 16
• ICSC Number: 0258
• LogP: 2.42 (LogP);log Kow = 2.47;2.47
• MDL Number: MFCD00009111
• 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
• Physical State: Liquid
• 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

Custom Q&A

What is the molecular formula of Diethyl phthalate?

The molecular formula of Diethyl phthalate is C12H14O4.

What is the primary hazard associated with Diethyl phthalate?

The primary hazard associated with Diethyl phthalate is to the environment.

What is the boiling point of Diethyl phthalate?

The boiling point of Diethyl phthalate is 298-299 °C.

What is the density of Diethyl phthalate at 25 °C?

The density of Diethyl phthalate at 25 °C is 1.12 g/mL.

How does Diethyl phthalate appear physically?

Diethyl phthalate appears as a clear, colorless liquid without significant odor.

What are some of the typical applications of Diethyl phthalate?

Some typical applications of Diethyl phthalate include its use as a plasticizer and solvent, as well as in paints and resins.

What is the flash point of Diethyl phthalate?

The flash point of Diethyl phthalate is >230 °F.

What is the CAS number of Diethyl phthalate?

The CAS number of Diethyl phthalate is 84-66-2.

What is the IUPAC name of Diethyl phthalate?

The IUPAC name of Diethyl phthalate is Diethyl benzene-1,2-dicarboxylate.

How does Diethyl phthalate affect the eyes and skin?

Diethyl phthalate severely irritates eyes and mildly irritates skin.