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| CAS No.: | 84-66-2 |
|---|---|
| Name: | Diethyl phthalate |
| Article Data: | 69 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C12H14O4 |
| Molecular Weight: | 222.241 |
| Synonyms: | Diethylester kyseliny ftalove [Czech];Diethyl 1,2-benzenedicarboxylate;o-Benzenedicarboxylic acid diethyl ester;Estol 1550;Anozol;Unimoll DA;Phthalsaeurediaethylester;Neantine;DEP;1,2-Benzenedicarboxylic acid,esters,diethyl ester;4-09-00-03172 (Beilstein Handbook Reference);Phthalic acid, diethyl ester;RCRA waste no. U088;Diethyl Phthalate [USAN];NCI-C60048;Phthalol;DPX-F5384;Palatinol A;Placidol E;o-Benzenedicarboxylic acid, diethyl ester;Diethyl o-phenylenediacetate;Solvanol;1,2-Benzenedicarboxylic acid, diethyl ester;Diethyl o-phthalate;diethyl benzene-1,2-dicarboxylate;Diethyl Phthalate 99%min; |
| EINECS: | 201-550-6 |
| Density: | 1.121 g/cm3 |
| Melting Point: | ?3°C(lit.) |
| Boiling Point: | 293.999 °C at 760 mmHg |
| Flash Point: | 160 °C |
| Solubility: | water: 1 g/L (20 °C) |
| Appearance: | clear oily liquid |
| Hazard Symbols: | N/A |
| Risk Codes: | N/A |
| Safety: | 24/25 |
| Transport Information: | N/A |
| PSA: | 52.60000 |
| LogP: | 2.04000 |
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The Diethyl phthalate, with the cas register number 84-66-2, is also called as diethyl-o-phthalate; ethyl phthalate; 'lgc' (2000); 1,2-benzenedicarboxylic acid diethyl ester; rarechem al bi 0044; phthalic acid, bis-ethyl ester; phthalic acid diethyl.
The characteristics of this chemical could be summarized as: (1)ACD/LogP: 2.70; (2)ACD/LogD (pH 5.5): 2.7; (3)ACD/LogD (pH 7.4): 2.7 ; (4)ACD/BCF (pH 5.5): 66.38 ; (5)ACD/BCF (pH 7.4): 66.38 ; (6)ACD/KOC (pH 5.5): 701.19 ; (7)ACD/KOC (pH 7.4): 701.19 ; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 6 ; (10)Polar Surface Area: 52.6; (11)Index of Refraction: 1.507 ; (12)Molar Refractivity: 59.06 cm3 ; (13)Molar Volume: 198.2 cm3 ; (14)Polarizability: 23.41 ×10-24 cm3 ; (15)Surface Tension: 39.3 dyne/cm ; (16)Density: 1.121 g/cm3 ; (17)Flash Point: 155.8 °C ; (18)Enthalpy of Vaporization: 53.36 kJ/mol ; (19)Boiling Point: 294 °C at 760 mmHg Vapour Pressure: 0.00167 mmHg at 25°C.
This is a kind of colourless oily liquid, with little fragance. And it is complete soluble in ethanol and diethyl [ethyl] ether and soluble in acetone, benzene and other organic solvent while insoluble in water. Besides, it is stable and combustible and then incompatible with strong oxidizing agents, strong acids, alkalies. While dealing with this chemical, avoid contact with skin and eyes, and you could also obtain more safety information from WGK Germany 2.
As for its usage, it is widely applied in many fields. It could be used as the fixative for spice and the plasticizer for alkyd resin, NBR, chloroprene rubber; it could also be as the rodenticide intermediate, such as diphacinone, pindone and Rozol and also the important dissolvant; it could also be used as dissolvant, plasticizer and lubricant for the analytical reagent and stationary liquid, cellulose and esters.
When comes to its making method, it could be made from esterification of phthalic anhydride and alcohol. The specific way is below: prepare the phthalic anhydride and alcohol, and go through the reflux reaction with the existence of sulfuric acid(catalytic agent), and then get the crude products. finally, have the distillation to get the ultimate products. As to its product categories, there are various, including phthalates; organics; analytical chemistry; environmental endocrine disruptors; functional materials; phthalates (environmental endocrine disruptors); phthalates (plasticizer); plasticizer.
Additionally, you could convert the following data information into the molecular structure:
SMILES:O=C(OCC)c1ccccc1C(=O)OCC
Below are the toxicity information of this chemical:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 8600mg/kg (8600mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: WITHDRAWAL | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(3), Pg. 25, 1980. |
| guinea pig | LD50 | subcutaneous | 3gm/kg (3000mg/kg) | "Industrial Hygiene and Toxicology," 2nd ed., Patty, F.A., ed., New York, John Wiley & Sons, Inc., 1958-63Vol. 2, Pg. 1904, 1963. | |
| guinea pig | LD50 | unreported | 3gm/kg (3000mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(9), Pg. 26, 1990. | |
| human | TCLo | inhalation | 1000mg/m3 (1000mg/m3) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: COUGH LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. |
| man | TDLo | oral | 357uL/kg (0.357mL/kg) | SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE BEHAVIORAL: GENERAL ANESTHETIC LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 32, Pg. 1456, 1990. |
| mouse | LD50 | intraperitoneal | 2749mg/kg (2749mg/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" BLOOD: CHANGES IN SPLEEN | Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 6, Pg. 342, 1947. |
| mouse | LD50 | oral | 6172mg/kg (6172mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 17(11), Pg. 51, 1973. | |
| mouse | LD50 | unreported | 8600mg/kg (8600mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(7), Pg. 52, 1988. |
