苯甲酰甲酸乙酯 | 1603-79-8
中文名称:
苯甲酰甲酸乙酯
英文名称:
Ethyl benzoylformate
CAS No.:
1603-79-8
分子式:
C1 0 H1 0 O3
分子量:
178.1846
名称和标识符
MDL
MFCD00009120
InChIKey
QKLCQKPAECHXCQ-UHFFFAOYSA-N
Inchi
1S/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
SMILES
CCOC(=O)C(=O)C1=CC=CC=C1
别名信息
- 中文别名 -
苯甲酰甲酸乙酯
苯甲酰基甲酸乙酯
Ethyl Benzoylformate 苯甲酰甲酸乙酯
α-羰基苯乙酸乙酯
苯(甲)酰基甲酸乙酯
- 英文别名 -
Ethyl 2-oxo-2-phenylacetate
Ethylphenylglyoxylate
Benzoylformic acid ethyl ester~Ethyl phenylglyoxylate
Ethyl Benzoylformate
BENZOYLFORMIC ACID ETHYL ESTER
Phenylglyoxylic Acid Ethyl Ester
Ethyl Phenylglyoxylate
Benzoylformic Acid Ethyl Ester
Ethyl phenylglyoxylate
Ethyl benzoylformate
F0001-0575
oxo-phenyl-acetic acid ethyl ester
ETHYL BENZOYLFORMATE
Benzeneacetic acid, alpha-oxo-, ethyl ester
Glyoxylic acid, phenyl-, ethyl ester
phenyl glyoxylic acid ethyl ester
NS00006503
EN300-18888
CS-W017334
alpha-Oxobenzeneacetic acid ethyl ester
Z94598662
AMN28N4D74
Phenylglyoxylic acid ethyl ester
2-Phenyl-2-oxoacetic acid ethyl ester
SY020312
B0109
SCHEMBL97859
CHEBI:84260
FT-0668164
ethyl benzoylformic acid
EC 216-504-0
EINECS 216-504-0
ETHYL ALPHA-OXOBENZENEACETATE
AI3-10033
NSC6766
HY-W016618
A810140
AKOS001133051
ethyl phenyl-glyoxylate
Ethyl benzoylformate, 95%
Ethyl 2-oxo-2-phenylacetic acid
Ethyl oxophenylacetate
AS-15563
Phenylglyoxylic acid, ethyl ester
ethyl 2-oxo-2-phenyl-acetate
Ethyl benzoylformate
ethyl oxo(phenyl)acetate
Ethyl oxophenylacetic acid
MFCD00009120
Phenyl glyoxylate ethyl ester
J-009716
UNII-AMN28N4D74
a-Oxo-benzeneacetic acid ethyl ester
NSC-6766
1603-79-8
DTXSID1061815
ethyl 2-oxo-2-phenyl-acetate
Q27157626
NSC 6766
Ethyl phenylglyoxylic acid
FT-0622759
Gloyoxylic acid, phenyl-, ethyl ester
Benzeneacetic acid, .alpha.-oxo-, ethyl ester
物化性质
实验特性
LogP
1.43240
PSA
43.37000
折射率
n20/D 1.516(lit.)
水溶性
Soluble in water 1143 mg/L @ 25°C .
沸点
138-139 °C/18 mmHg(lit.)
熔点
97
闪点
华氏:>235.4 °F 摄氏:>113 °C
颜色与性状
淡黄色透明液体。
溶解性
不溶于水,溶于乙醇,乙醚和丙二醇等有机溶剂。
敏感性
Moisture Sensitive
密度
1.122 g/mL at 25 °C(lit.)
计算特性
精确分子量
178.06300
氢键供体数量
0
氢键受体数量
3
可旋转化学键数量
4
同位素质量
178.062994
重原子数量
13
复杂度
192
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)
2
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
43.4
海关数据
海关编码
2942000000
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%
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