4-羟基丁酸乙酯 | 999-10-0
中文名称:
4-羟基丁酸乙酯
英文名称:
Ethyl 4-hydroxybutanoate
CAS No.:
999-10-0
分子式:
C6 H1 2 O3
分子量:
132.16
名称和标识符
MDL
MFCD09926765
InChIKey
AYPJVXQBVHCUCJ-UHFFFAOYSA-N
Inchi
1S/C6H12O3/c1-2-9-6(8)4-3-5-7/h7H,2-5H2,1H3
SMILES
CCOC(=O)CCCO
别名信息
- 英文别名 -
Ethyl 4-hydroxybutanoate
Ethyl 4-hydroxybutyrate
4-Hydroxybutanoic acid ethyl ester
3-ethoxycarbonyl-1-propanol
4-Hydroxy-buttersaeure-aethylester
4-hydroxy-butyric acid ethyl ester
Butanoic acid,4-hydroxy-,ethyl ester
ethylhydroxybutanoate,ethyl4-hydroxybutanoate
SCHEMBL6736
C91677
Butanoic acid, 4-hydroxy, ethyl ester
B0001-101464
ethyl 4-hydroxybutanoate
SY263197
4-hydroxy-butanoic acid ethyl ester
999-10-0
NSC617295
ethyl 4-hydroxybutyrate
CHEMBL1964670
Butanoic acid, 4-hydroxy-, ethyl ester
AMY4323
MFCD09926765
NCI60_005207
NSC-617295
EN300-135722
DTXSID20326810
AKOS006312240
AS-6427
物化性质
实验特性
LogP
0.32200
PSA
46.53000
沸点
205 ºC
闪点
81 ºC
密度
1.027
计算特性
精确分子量
132.07900
氢键供体数量
1
氢键受体数量
3
可旋转化学键数量
5
同位素质量
132.079
重原子数量
9
复杂度
80.4
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)
0.1
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
46.5A^2
海关数据
海关编码
2918199090
海关数据
中国海关编码:
2918199090
概述:
HS: 2918199090. 其他含醇基但不含其他含氧基羧酸(包括其酸酐、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:
2918199090 other carboxylic acids with alcohol 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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