苯甲酰乙酸乙酯 | 94-02-0
中文名称:
苯甲酰乙酸乙酯
英文名称:
Ethyl benzoylacetate
CAS No.:
94-02-0
分子式:
C1 1 H1 2 O3
分子量:
192.211183547974
名称和标识符
MDL
MFCD00009196
InChIKey
GKKZMYDNDDMXSE-UHFFFAOYSA-N
Inchi
1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
SMILES
O=C(CC(C1C=CC=CC=1)=O)OCC
BRN
0389
别名信息
- 中文别名 -
苯甲酰乙酸乙酯
3-氧代苯丙酸乙酯
苯甲酰基乙酸乙酯
beta-氧代苯丙酸乙酯
Ethyl Benzoylacetate 苯甲酰乙酸乙酯
- 英文别名 -
Ethyl 3-oxo-3-phenylpropanoate
Ethyl benzoylacetate,(Benzoylacetic acid ethyl ester)
Benzoylacetic acid ethyl ester
Ethyl Benzoylacetate
3-Oxo-3-pyridin-3-yl-propionic acid ethyl ester
3-phenyl-3-oxopropanoate
benzoylacetic ethyl ester
ethyl 3-oxo-3-phenylpropionate
ethyl 3-phenyl-3-oxopropionate
Ethyl benzovlacetate
ethyl2-benzoylacetate
Ethylbenzoylacetat
Ethylbeonzoyl acetate
FEMA 2423
phenylformyl acetic acid ethyl ester
3-Oxo-3-phenylpropionic Acid Ethyl Ester
Ethyl 3-phenyl-3-oxopropanoate
Ethyl benzoyl acetate
Ethyl beta-oxobenzenepropanoate
ethylbenzoylacetate
Benzoylacetic acid, ethyl ester
Acetic acid, benzoyl-, ethyl ester
Benzenepropanoic acid, beta-oxo-, ethyl ester
1-Ethoxy-3-phenylpropane-1,3-dione
FEMA No. 2423
K8CHJ4MKM0
Benzenepropanoic acid, .beta.-oxo-, ethyl ester
Acetic acid, benzoyl-, ethyl ester (6CI, 7CI, 8CI)
3-Oxo-3-phenylpropanoic acid ethyl ester
3-Oxo-3-phenylpropionic acid ethyl ester
3-Phenyl-3-oxopropanoic acid ethyl ester
Ethyl 2-benzoylacetate
Ethyl 3-oxo-3-phenylpropionate
Ethyl benzoylacetate
Ethyl β-oxobenzenepropanoate
NSC 227214
NSC 6774
β-Oxobenzenepropanoic acid ethyl ester
Benzoylacetic Acid Ethyl Ester
Ethyl 3-Oxo-3-phenylpropionate
Ethyl benzoylacetate,95%
物化性质
实验特性
LogP
1.82250
PSA
43.37000
Merck
3767
折射率
n20/D 1.52(lit.) n20/D 1.531
水溶性
不溶
沸点
265-270 °C(lit.)
熔点
< 0
闪点
华氏:284 °F 摄氏:140 °C
FEMA
2423
溶解度
alcohol: miscible
颜色与性状
不可用
溶解性
不可用
敏感性
Light Sensitive
密度
1.11 g/mL at 25 °C(lit.)
计算特性
精确分子量
192.07900
氢键供体数量
0
氢键受体数量
3
可旋转化学键数量
5
同位素质量
192.079
重原子数量
14
复杂度
205
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
1.9
互变异构体数量
3
表面电荷
0
拓扑分子极性表面积
43.4
海关数据
海关编码
29183000
海关数据
中国海关编码:
2918300090
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%
生产方法和用途
用途
用作黄酮药物的中间体、也用于合成彩色照相成色剂
生产方法
由乙酰乙酸乙酯钠盐与苯甲酸乙酯反应而得。由苯甲酸乙酯与乙酸乙酯用乙氧化钠缩聚而得。
相关文献
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参考资料
Reaxys RN
389944
Beilstein
389944
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