Diethyl phthalate

• Catalog Number: ACM84662
• Product Name: Diethyl phthalate
• CAS: 84-66-2
• Category: Polymer/Macromolecule
• 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
• 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
• 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
• 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 molecular weight of diethyl phthalate?

The molecular weight of diethyl phthalate is 222.24 g/mol.

What is the primary use of diethyl phthalate?

Diethyl phthalate is commonly used to make plastics more flexible.

What are some products in which diethyl phthalate can be found?

Diethyl phthalate can be found in toothbrushes, automobile parts, tools, toys, and food packaging.

What are some other uses of diethyl phthalate?

Diethyl phthalate is also used in cosmetics, insecticides, and aspirin.

What are the synonyms for diethyl phthalate?

The synonyms for diethyl phthalate include ethyl phthalate, phthalic acid diethyl ester, and Anozol.

What is the CAS number of diethyl phthalate?

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

What are the hazards associated with diethyl phthalate?

Diethyl phthalate can severely irritate the eyes and mildly irritate the skin. It can also contaminate groundwater and nearby waterways.

What is the IUPAC name of diethyl phthalate?

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

What is the InChIKey of diethyl phthalate?

The InChIKey of diethyl phthalate is FLKPEMZONWLCSK-UHFFFAOYSA-N.