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苯甲酰乙酸乙酯

苯甲酰乙酸乙酯用途

【用途一】
用作黄酮药物的中间体、也用于合成彩色照相成色剂
【用途二】
食品用香料。主要用于配制白兰地等果酒类香精。
【用途三】
用于有机合成。

苯甲酰乙酸乙酯名称

[ CAS 号 ]:
94-02-0

[ 中文名 ]:
苯甲酰乙酸乙酯

[ 英文名 ]:
Ethyl 3-oxo-3-phenylpropanoate

[中文别名 ]:

[英文别名 ]:

Ethyl benzoylacetate
ethyl 3-oxo-3-phenylpropionate
benzoylacetic ethyl ester
benzenepropanoic acid, b-oxo-, ethyl ester
phenylformyl acetic acid ethyl ester
ethyl 3-phenyl-3-oxopropionate
MFCD00009196
Benzenepropanoic acid, β-oxo-, ethyl ester
Ethyl benzovlacetate
ethyl2-benzoylacetate

苯甲酰乙酸乙酯物理化学性质

[ 密度 ]:
1.1±0.1 g/cm3

[ 沸点 ]:
268.1±13.0 °C at 760 mmHg

[ 熔点 ]:
< 0ºC

[ 分子式 ]:
C₁₁H₁₂O₃

[ 分子量 ]:
192.211

[ 闪点 ]:
113.1±19.9 °C

[ 精确质量 ]:
192.078644

[ PSA ]:
43.37000

[ LogP ]:
1.87

[ 外观性状 ]:
白色至灰白色粉末带有一种特有的气味

[ 蒸汽密度 ]:
6.6 (vs air)

[ 蒸汽压 ]:
0.0±0.5 mmHg at 25°C

[ 折射率 ]:
1.509

[ 储存条件 ]:
室温，避光，密封

[ 水溶解性 ]:
INSOLUBLE

苯甲酰乙酸乙酯MSDS

苯甲酰乙酸乙酯毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AF4878000

CHEMICAL NAME :: Acetic acid, benzoyl-, ethyl ester

CAS REGISTRY NUMBER :: 94-02-0

BEILSTEIN REFERENCE NO. :: 0389944

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C11-H12-O3

MOLECULAR WEIGHT :: 192.23

WISWESSER LINE NOTATION :: 2OV1VR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 6800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,65,1982

苯甲酰乙酸乙酯安全信息

[ 个人防护装备 ]:
Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)

[ 危害码 (欧洲) ]:
Xi

[ 安全声明 (欧洲) ]:
S24/25

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
2

[ RTECS号 ]:
AF4878000

[ 海关编码 ]:
29183000

苯甲酰乙酸乙酯合成路线

苯甲酰乙酸乙酯上下游产品

苯甲酰乙酸乙酯上游产品

苯甲酰乙酸乙酯下游产品

苯甲酰乙酸乙酯制备

【方法一】
由苯甲酸乙酯与乙酸乙酯用乙氧化钠缩聚而得。
【方法二】
由乙酰乙酸乙酯钠盐与苯甲酸乙酯反应而得。

苯甲酰乙酸乙酯海关

[ 海关编码 ]: 2918300090

[ 中文概述 ]:
2918300090 其他含醛基或酮基不含其他含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:6.5% 普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途

[ Summary ]:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

苯甲酰乙酸乙酯文献

A practical and convenient fluorination of 1,3-dicarbonyl compounds using aqueous HF in the presence of iodosylbenzene.

Org. Lett. 13 , 2392-2394, (2011)

A simple, practical, and convenient fluorination of 1,3-dicarbonyl compounds was achieved by direct use of aqueous hydrofluoric acid and iodosylbenzene (PhIO). The reaction of ethyl benzoylacetate wit...

Reaction of iodonium ylides of 1,3-dicarbonyl compounds with HF reagents.

Molecules 17(6) , 6625-32, (2012)

Reaction of dibenzoylmethane with (diacetoxyiodo)benzene in the presence of KOH in MeCN quantitatively gave the corresponding iodonium ylide, which was treated with a HF reagent to afford the correspo...

A short synthesis of the triazolopyrimidine antibiotic essramycin.

J. Nat. Prod. 73(11) , 1938-9, (2010)

A short synthesis of the 1,2,4-triazolo[1,5-a]pyrimidine antibiotic essramycin is described involving condensation of aminoguanidine with ethyl benzoylacetate to give an amino-1,2,4-triazole, followed...

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