丙酮酸甲酯 | 600-22-6
中文名称:
丙酮酸甲酯
英文名称:
Methyl pyruvate
CAS No.:
600-22-6
分子式:
C4 H6 O3
分子量:
102.09
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:丙酮酸甲酯结构式
名称和标识符
MDL
MFCD00008754
InChIKey
CWKLZLBVOJRSOM-UHFFFAOYSA-N
Inchi
InChI=1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3
SMILES
CC(=O)C(=O)OC
BRN
1361953
别名信息
- 中文别名 -
丙酮酸甲酯
甲基丙酮酸酯
甲基-2-氧代丙酸
乙酰甲酸甲酯
2-氧代丙酸甲酯
- 英文别名 -
Methyl pyruvate
2-OXOPROPANOIC ACID METHYL ESTER
METHYL 2-OXOPROPANOATE
METHYL 2-OXO-PROPIONATE
PAME
PYR ME
PYRUVIC ACID METHYL ESTER
2-oxo-propionicacidmethylester
Methylglyoxylic acid methyl ester
Propanoic acid, 2-oxo-, methyl ester
ketopropionic acid methyl ester
Methyl acetoformate
2-Oxopropanoic acid methyl
cis-Pyruvic acid methyl ester
trans-Pyruvic acid methyl ester
Methyl 2-oxopropionate
Pyruvic Acid Methyl Ester
Pyruvic acid methyl ester
物化性质
实验特性
LogP
-0.25160
PSA
43.37000
Merck
14,8021
折射率
n20/D 1.404(lit.)
水溶性
Soluble in chloroform, methanol, ether, alcohol. Slightly soluble in water.
沸点
138°C
闪点
华氏:116.6 °F 摄氏:47 °C
FEMA
3723
溶解度
ethanol: soluble1.1g/10 mL, clear, colorless to almost colorless
颜色与性状
不可用
溶解性
不可用
密度
1.13 g/mL at 25 °C(lit.)
计算特性
精确分子量
102.03200
氢键供体数量
0
氢键受体数量
3
可旋转化学键数量
2
同位素质量
102.032
重原子数量
7
复杂度
95.1
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)
0
互变异构体数量
2
表面电荷
0
拓扑分子极性表面积
43.4A^2
海关数据
海关编码
2918300090
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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参考资料
Reaxys RN
1361953
Beilstein
3,616
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