ethyl acetoacetate CAS 141-97-9, ethyl acetoacetate, CAS 141-97-9
CAS : 141-97-9
Formula : C6H10O3
Mol. wt. : 130.14
EINECS : 205-516-1
| CAS | 141-97-9 |
| Molecular formula | C6H10O3 |
| Molecular weight | 130.14 |
| EIENCS | 205-516-1 |
| Form | |
| Melting point | −43 °C(lit.) |
| boling point | 181 °C(lit.) |
| Density | 1.029 g/mL at 20 °C(lit.) |
| Solubility | 116 g/L (20 ºC) |
| PKA | / |
| Color | APHA：≤15 |
| Storage temp | Store below +30°C. |
Colorless liquid with a pleasant fruity aroma. It is miscible with common organic solvents and readily soluble in water.
Method 1: Accurately weigh approximately 0.8g of the sample in the formaldehyde and ketone content determination method (OT-7)
Method Two: Determination. The maintenance time is 15 minutes. The equivalent factor (e) in the calculation is taken as 65.07. Method Two: Take 50ml of freshly distilled pyridine and place it in a 250ml conical flask, then add approximately 450mg of accurately weighed sample. Cover the pendant and shake until completely dissolved. Add a few drops of thymol solution (T-248) and titrate with 1mol/L sodium methoxide pyridine solution until blue begins to appear 茭 endpoint. During titration, nitrogen gas should be sent into bottle A through a 6mm glass tube, which should be placed near the lower end of the burette. Conduct a blank test in the same way as above. Each ml of 0.1mol/L sodium methoxide pyridine is diluted with 13.01mg of ethyl acetoacetate (C6H10O3) in liquid phase.
Method 3: Determination using the non-polar column method in accordance with GT-10-4.
It is used in medicine to synthesize aminopyrine, vitamin B, etc., and is also used in the preparation of azo yellow dye. Additionally, it is used in blending apple essence and other fruit-flavored essences
It is used as a stationary liquid for gas chromatography, an analytical reagent and a complexing indicator for the determination of high-speed iron
Ethyl acetoacetate is an important organic synthesis raw material. In the production of pesticides, it is used to synthesize the intermediate α -chloroethyl acetoacetate of the organophosphorus insecticide flyphosate, the intermediate 2-methoxy-4-methyl-6-hydroxypyrimidine of pyrimidine oxyphosphorus, the intermediate 2-isopropyl-4-methyl-6-hydroxypyrimidine of diazine phosphorus, and the carbamate insecticide aphidol. Fungicide metalaxyl, herbicide ethazotinic acid, rodenticides such as rodenticide ether and rodenticide, etc. It is also an intermediate for the new fungicide varieties cyprodinil, difulmetorim, furammetpyr, and the plant growth regulator cintofen. In addition, Ethyl acetoacetate is also widely used in industries such as medicine, plastics, dyes, fragrances, varnishes and additives.
Occasionally used in cosmetic fragrances such as gardenia, it can endow wine with a fruity aroma or a delicate, non-floral top note. It can give ethanol a mellow taste in rinsing water or liquid products. It is widely used in food flavorings and can be applied to many fruit or wine aromas, such as apple, apricot, peach, cherry, berry, as well as yellow wine, brandy, white wine, whisky, rum and other food and wine flavorings.
GB 2760-96 stipulates it as an edible flavoring that is permitted for use. It is widely used in the preparation of fruit-type and wine-type essences such as strawberry, apple, apricot, cherry, peach, etc., as well as rum, whisky, etc.
Ethyl acetoacetate has extremely wide applications in organic synthesis. For instance, it can be used to synthesize heterocyclic compounds such as pyridine, pyrrole, pyrazolone, pyrimidine, purine and lides. It is also widely used in drug synthesis. For instance, ethyl acetoacetate cyclized with resorcinol yields 4-methyl-7-hydroxycoumarin, which is an intermediate for anti-allergic drug scale. Ethyl acetoacetate condenses with chlorobenzyl to form ethyl α -acetylphenylpropionate, which is an intermediate of the cough suppressant ketone. Ethyl acetoacetate condenses with benzoyl chloride to form ethyl benzoyl acetate, which is an intermediate of the central nervous system stimulant, sorberine hydrochloride. Ethyl acetate cyclization with thiourea yields the antithyroid drug methyrimidine (an intermediate of the coronary dilator dipyridamole). The particularity of the EAA structure determines that it has both the properties of ketones and the reaction characteristics of enols, and its chemical properties are very active. It is widely used in the fields of medicine, dyes, pesticides, etc., and is also used in food additives and flavors and fragrances. The most significant application of EAA in China is in the synthesis of pharmaceuticals and their intermediates, mainly in the synthesis of γ -acetylbutyrolactone (an important intermediate for vitamin B), 4-methyl-7-hydroxycoumarin (an intermediate for antihistamines), etc. It is also used as an intermediate for the preparation of acetyl-acetyl-o-chloroaniline (an intermediate for the synthesis of 1,3,Chemicalbook 5-pyrazolone and hanza yellow lake), acetyl-acetyl-o-methylaniline (an intermediate for the synthesis of organic yellow dye packaging enhancement pigment yellow), and other dyes. In addition, EAA is also used to produce pesticides such as methylpyrimidine phosphorus and pyrimidine phosphorus. Abroad, it is also applied in unsaturated polyester co-promoters and synthetic fragrances such as the preparation of linalool, violet ketone and macrocyclic fragrances. Ethyl acetoacetate is also used in the synthesis of 4-hydroxycoumarin, which is then used to create new anticoagulant drugs. Ethyl acetoacetate cyclized with 1, 3-bromochloropropane yields 2-methyl-3-ethoxycarbonyl-5, 6-dihydropyran. This is an intermediate of the vasodilator drug ketoxifylline. Ethyl acetoacetate is also used in the synthesis of sodium dichlorobenzoxicillin, amoxicillin, the selective coronary dilator Yantongxin and azoprazine. Ethyl acetoacetate condenses with aniline to form 4-hydroxyquinoline. It is used for the production of the disinfectant and antiseptic drug Clostridium. The pyrazolone derivative formed by the condensation of ethyl acetoacetate and phenylhydrazine and the intermediate of dyes. It also has important applications in pesticides, fragrances, photochemicals, polymerization catalysts and other fields. Ethyl acetoacetate is also used as a flavoring agent in food. Ethyl acetoacetate is also used as a solvent and as a reagent for detecting thallium, calcium oxide, calcium hydroxide and copper.
It is used in organic synthesis, fragrance, dye and pharmaceutical industries
The pharmaceutical industry uses it to produce aminopyrine, vitamin B, etc. Dyes are used as raw materials for synthetic dyes and for dyeing film substrates. The coatings industry is used to manufacture clear. It is used as a solvent in the organic industry and as a material for synthesizing organic compounds
Solvent. Organic synthesis. Verify thallium. Determine calcium oxide, calcium hydroxide and copper. Determination of complexation indicators for high-speed rail. Gas chromatography stationary liquid (with a maximum usage concentration of 50℃ and acetone as the solvent), for the separation and analysis of low-grade hydrocarbon isomers, as well as the separation of n-iso-1-butene and cis-trans-2-butene.
It is used for the verification of thallium and the determination of calcium oxide, calcium hydroxide and copper. Used as a complexation indicator for determining high-speed railways; It is used as a stationary liquid for gas chromatography (with a maximum usage concentration of 50℃ and acetone as the solvent), for the separation and analysis of low-grade hydrocarbon isomers, and for the separation of n-iso-1-butene and cis-trans -2-butene
Oral administration - Rat LD50: 3980 mg/kg; Oral administration - Mouse LD50: 5105 mg/kg
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