甲基 2-酮丁酸酯 | 3952-66-7
中文名称:
甲基 2-酮丁酸酯
英文名称:
Methyl 2-oxobutanoate
CAS No.:
3952-66-7
分子式:
C5 H8 O3
分子量:
116.1152
名称和标识符
MDL
MFCD03093092
InChIKey
XPIWVCAMONZQCP-UHFFFAOYSA-N
Inchi
1S/C5H8O3/c1-3-4(6)5(7)8-2/h3H2,1-2H3
SMILES
O(C([H])([H])[H])C(C(C([H])([H])C([H])([H])[H])=O)=O
别名信息
- 中文别名 -
2-氧代丁酸甲酯
2-丁酮酸甲酯
Methyl 2-Oxobutyrate 2-氧代丁酸甲酯
甲基 2-酮丁酸酯
2-酮丁酸甲酯
- 英文别名 -
Methyl 2-oxobutanoate
2-OxobutanoicAcidMethylEster
Methyl 2-Oxobutyrate
2-Oxobutanoic Acid M
Butanoic acid, 2-oxo-,methyl ester
2-ketobutyric acid methyl ester
2-Oxobutyric acid methyl ester
Butyric acid,2-oxo-,methyl ester
METHYL 2-KETOBUTYRATE
Butanoic acid, 2-oxo-, methyl ester
2-oxoButanoic acid methyl ester
XPIWVCAMONZQCP-UHFFFAOYSA-N
Butyric acid, 2-oxo-, methyl ester
methyl oxo-butanoate
Methyl2-Oxobutanoate
Methyl-2-ketobutyrate
methyl 2-oxo-butyrate
Methyl 2-oxobutanoate #
Methyl .alpha.-oxobutyrate
2-oxo-butyric acid methyl ester
2-Oxobutyric Acid Methyl Ester
Methyl 2-ketobutyrate
Methyl 2-oxobutyrate
methyl 2-oxobutanoate
MFCD03093092
MFCD03093092
FT-0628458
FT-0628458
3952-66-7
3952-66-7
2-Ketobutyric acid, methyl ester
2-Ketobutyric acid, methyl ester
SCHEMBL120572
SCHEMBL120572
F16310
F16310
A847163
A847163
AS-47831
AS-47831
Methyl ester of 2-oxobutanoic acid
Methyl ester of 2-oxobutanoic acid
AKOS006227654
AKOS006227654
Methyl 2-oxobutanoate, 95%
Methyl 2-oxobutanoate, 95%
DTXSID50337853
DTXSID50337853
M2369
M2369
SY005236
SY005236
EN300-109087
EN300-109087
物化性质
实验特性
LogP
0.13850
PSA
43.37000
折射率
1.4099 (589.3 nm 30 ºC)
沸点
155°C(lit.)
闪点
华氏:122 °F 摄氏:50 °C
溶解度
溶解 (73 g/L) (25 ºC),
密度
1.039±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量
116.04700
氢键供体数量
0
氢键受体数量
3
可旋转化学键数量
3
同位素质量
116.047344113g/mol
重原子数量
8
复杂度
106
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)
0.5
拓扑分子极性表面积
43.4
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
1749847
Beilstein
1749847
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