Diethyl ester of 1,2-Benzenedicarboxylic acid
Diethyl phthalate
CAS: 84-66-2
Molecular Formula: C12H14O4
Diethyl ester of 1,2-Benzenedicarboxylic acid - Names and Identifiers
| Name | Diethyl phthalate |
| Synonyms | DEP Anozol Diethyl ester Ethyl phthalate DIETHYLPHTALATE Diethyl phthalate 1,2-diethyl phthalate Phthalic Acid Diethyl Ester diethyl1,2-benzenedicarboxylate Diethyl-1,2-benzenedicarboxylate 1,2-benzenedioicacid,diethylester diethyl benzene-1,2-dicarboxylate -Benzenedicarboxylic acid diethyl ester Benzene-1,2-dicarboxylic acid diethyl ester Diethyl ester of 1,2-Benzenedicarboxylic acid Diethyl phthalate, (Phthalic acid diethyl ester) |
| CAS | 84-66-2 |
| EINECS | 201-550-6 |
| 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 |
Diethyl ester of 1,2-Benzenedicarboxylic acid - Physico-chemical Properties
| Molecular Formula | C12H14O4 |
| Molar Mass | 222.24 |
| Density | 1.12 g/mL at 25 °C (lit.) |
| Melting Point | -3 °C (lit.) |
| Boling Point | 298-299 °C (lit.) |
| Flash Point | >230°F |
| Water Solubility | 1 g/L (20 ºC) |
| Solubility | It is miscible with ethanol and ether, soluble in organic solvents such as acetone and benzene, and insoluble in water. |
| Vapor Presure | 1 mm Hg ( 100 °C) |
| Vapor Density | 7.66 (vs air) |
| Appearance | Colorless transparent oily liquid |
| Specific Gravity | 1.118 |
| Color | APHA: ≤15 |
| Exposure Limit | TLV-TWA air 5 mg/m3 (ACGIH).. |
| Merck | 14,7371 |
| BRN | 1912500 |
| Storage Condition | 2-8°C |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, alkalies. |
| Sensitive | Easily absorbing moisture |
| Explosive Limit | 0.75%, 187°F |
| Refractive Index | n20/D 1.502(lit.) |
| MDL | MFCD00009111 |
| Physical and Chemical Properties | Properties colorless transparent oily liquid, micro-aromatic solubility insoluble in water but soluble in ethanol, ether, acetone and other organic solvents. |
| Use | Used as plasticizers, solvents, lubricants, fixatives, non-ferrous or rare metal mine flotation foaming agent, gas chromatography stationary liquid, alcohol denaturant, spray insecticide. This product has good compatibility with cellulose acetate, cellulose acetate butyrate, polyvinyl acetate, cellulose nitrate, ethyl cellulose, polymethyl methacrylate, polystyrene, polyvinyl butyral, vinyl chloride-vinyl acetate copolymer and most other resins. It is mainly used as a plasticizer for cellulose resins. |
Diethyl ester of 1,2-Benzenedicarboxylic acid - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 3082 9 / PGIII |
| WGK Germany | 2 |
| RTECS | TI1050000 |
| TSCA | Yes |
| HS Code | 29173400 |
| Toxicity | LD50 i.p. in rats: 5.06 ml/kg (Singh) |
Diethyl ester of 1,2-Benzenedicarboxylic acid - Upstream Downstream Industry
| Raw Materials | Phthalic anhydride Ethyl Alcohol |
Diethyl ester of 1,2-Benzenedicarboxylic acid - Reference
| Reference Show more | 1. [IF=7.963] Ming Li et al."Sensitive and selective determination of butyl benzyl phthalate from environmental samples using an enzyme immunoassay."Sci Total Environ. 2019 Oct;687:849 |
Diethyl ester of 1,2-Benzenedicarboxylic acid - Introduction
Solvents for cellulose nitrate and cellulose acetate. Plasticizer. Wetting agent. Gas chromatography stationary solution (maximum service temperature 95 ℃, solvent acetone, benzene, dichloromethane, ethanol), selective retention and separation of aromatic compounds, unsaturated compounds and various oxygenates (alcohols, aldehydes, ketones, esters, etc.).
Last Update：2022-10-16 17:29:17
Diethyl ester of 1,2-Benzenedicarboxylic acid - Reference Information
| Henry's Law Constant | At 25 °C: 5.01, 4.54, 4.78, 4.94, 2.21, and 2.44 (x 10-5 atm?m3/mol)at pH values of 2.96, 2.98, 6.18, 6.19, 8.98, and9.00, respectively (Hakuta et al., 1977). |
| LogP | 2.2 at 41℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| preparation | 1. The traditional synthesis method is by phthalic anhydride and anhydrous ethanol in concentrated sulfuric acid under the action of esterification, esterification liquid through neutralization, dehydration, fractionation to get the finished product. Sulfuric acid has the advantages of strong acidity, strong water absorption and low cost, but it also has oxidation, which may lead to side reactions such as sulfonation, carbonization or polymerization, so that its selectivity is poor and the reaction yield is low, and the corrosion of equipment, resulting in a large number of waste liquid, causing environmental pollution. 2. Solid acid as catalyst method: add a certain amount of phthalic anhydride and 10ml of anhydrous ethanol in a three-neck bottle equipped with a thermometer, a stirrer and a reflux condenser tube, and heat, when the anhydride solid is dissolved, add a certain amount of catalyst, carry out esterification reaction under stirring reflux for 1H, then stop stirring, install water separator, add appropriate amount of cyclohexane reflux with water, until dehydration is complete, excess ethanol and cyclohexane were distilled off, and when the temperature was raised to 100 ° C., heating was stopped, and the mixture was left to cool, to obtain a crude product. The cooled crude product was first filtered off the catalyst, and then the product adhered to the catalyst surface was washed with a small amount of ethyl acetate and incorporated into the reaction product ~ 6. The organic layer was separated and washed with a saturated aqueous solution of sodium chloride in portions until neutral. The aqueous layer was separated and discarded, and the organic layer was dried by adding anhydrous MgSO4 and distilled to collect a fraction at 295-298 ° C., I .e., diethyl phthalate. |
| Use | diethyl phthalate is commonly used as a fixative for spices, and can also be used as a plasticizer for alkyd resin, nitrile rubber and chloroprene rubber; it is also an important solvent for the intermediates of the rodenticide, the rat, and the chlorophenone. It is also used as an analytical reagent, a gas chromatography stationary liquid, a solvent for cellulose and Esters, a plasticizer, a solvent, a lubricant, fixative, foaming agent for the flotation of non-ferrous or rare metal mines, alcohol denaturant, spray insecticide. It has good compatibility with cellulose acetate, cellulose acetate butyrate, polyvinyl acetate, cellulose nitrate, ethyl cellulose, polymethyl methacrylate, polystyrene, polyvinyl butyral, vinyl chloride-vinyl acetate copolymer and most other resins. Diethyl phthalate is mainly used as a plasticizer for cellulose resin, but it is highly volatile, which limits its wide application. |
| production method | the crude product is prepared by refluxing reaction of phthalic anhydride and ethanol in the presence of sulfuric acid as catalyst, the product was obtained by distillation. |
| category | flammable liquid |
| toxicity grade | low toxicity |
| Acute toxicity | oral-rat LD50: 8600 mg/kg; Oral-mouse LD50: 6172 mg/kg |
| stimulation data | eye-rabbit 112 Mg |
| flammability hazard characteristics | flammable in open flame, high temperature, strong oxidant; combustion emissions |
| storage and transportation characteristics | The package is complete, light, light; The warehouse is ventilated, away from open flame, high temperature, separate from oxidant |
| fire extinguishing agent | foam, carbon dioxide, dry powder, sand, water mist |
| Occupational Standard | TWA 5 mg/m3; Tel 10 mg/m3 |
| spontaneous combustion temperature | 854 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 15:16:53
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Raw Materials for Diethyl ester of 1,2-Benzenedicarboxylic acid