名称和标识符别名信息物化性质安全信息国际标准相关数据海关数据相关文献专业数据库参考参考资料相关分类相关产品

2-羟基异丁酸乙酯 | 80-55-7

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中文名称： 2-羟基异丁酸乙酯

英文名称： Ethyl 2-hydroxyisobutyrate

CAS No.： 80-55-7

分子式： C₆H₁₂O₃

分子量： 132.157682418823

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：2-羟基异丁酸乙酯结构式

MSDS： 2-羟基异丁酸乙酯MSDS

PubChem CID： 6653

价格行情： 2-羟基异丁酸乙酯价格

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2-羟基异丁酸乙酯的其他展现形式

相关化合物

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名称和标识符

MDL	MFCD00004458
InChIKey	GFUIDHWFLMPAGY-UHFFFAOYSA-N
Inchi	1S/C6H12O3/c1-4-9-5(7)6(2,3)8/h8H,4H2,1-3H3
SMILES	O=C(C(C)(C)O)OCC
BRN	878308

别名信息

- 中文别名 -

2-羟基异丁酸乙酯
2-羟基-2-甲基丙酸乙酯
1-羟基-2-甲基丙酸乙酯
α-羟基-α-甲基丙酸乙酯
Α-羟基异丁酸乙酯

- 英文别名 -

Ethyl 2-hydroxyisobutyrate
Ethyl 2-hydroxy-2-methylpropionate~Ethyl 2-methyllactate~2-Hydroxyisobutyric acid ethyl ester
Ethyl 2-methyllactate
2-Hydroxyisobutyric Acid Ethyl Ester
Ethyl α-hydroxyisobutyrate

Ethyl-2-Hydroxyisobutyrate
ethyl 2-hydroxy-2-methylpropanoate
Ethyl 2-hydroxy-2-methylpropionate
Ethyl alpha-hydroxyisobutyrate
2-Methyllactic acid ethyl ester
alpha (or beta) - Hydroxyisobutyric acid, ethyl ester
Ethyl-2-hydroxyisobutyrate
SCHEMBL122175
AI3-09122
FT-0612617
UNII-S1530MCV3X
AKOS005255144
LS-87486
Methyllactic acid ethyl ester, 2-
(Ethyl 2-hydroxyisobutyrate)
Propanoic acid, 2-hydroxy-2-methyl-, ethyl ester
80-55-7
D90826
ethyl alpha-hydroxy-isobutyrate
Ethyl alpha -hydroxyisobutyrate
Ethyl .alpha.-hydroxyisobutyrate
Ethyl 2-hydroxy-2-methylpropanoate
ethyl 2-hydroxy-2-methyl-propanoate
NSC4667
Q27288428
BRN 0878308
4-03-00-00783 (Beilstein Handbook Reference)
DTXSID4073885
2-hydroxy-2-methylpropionic acid ethyl ester
NSC-4667
LACTIC ACID, 2-METHYL-, ETHYL ESTER
H0255
EINECS 201-290-3
STR06913
S1530MCV3X
NSC 4667
2-HYDROXY-2-METHYLPROPANOIC ACID ETHYL ESTER
Ethyl alpha-hydroxyisobutyrate, 98%
ETHYL 2-METHYL-2-HYDROXYPROPANOATE
Ethyl 2-hydroxy-2-methylpropanoate #
ethyl-alpha-hydroxyisobutyrate
W-104228
2-hydroxy-2-methyl-propionic acid ethyl ester
MFCD00004458
Ethyl 2-hydroxyisobutanoate
EN300-105389
2-Hydroxyisobutyric acid ethyl ester
NS00038076
Lactic acid, 2-methyl-, ethyl ester (6CI, 7CI, 8CI)
2-Hydroxy-2-methylpropanoic acid ethyl ester
2-Hydroxy-2-methylpropionic acid ethyl ester
Ethyl 2-methyl-2-hydroxypropanoate
α-Hydroxyisobutyric acid ethyl ester

物化性质

实验特性

LogP	0.32040
PSA	46.53000
折射率	n20/D 1.408(lit.)
沸点	150°C(lit.)
闪点	华氏：105.8 °F 摄氏：41 °C
颜色与性状	无色或浅黄色液体，有芳香味。2. 相对密度（g/mL,20/4℃）
溶解性	能与醇、醚等主要有机溶剂相混溶。能溶解硝酸纤维素、醋酸纤维素等，但溶解速度较慢，所得溶液的黏度比乙酸戊酯小，比乳酸乙酯大。溶解能力与乳酸乙酯相似。
密度	0.965 g/mL at 25 °C(lit.)

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	3
同位素质量	132.079
重原子数量	9
复杂度	107
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）	0.4
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

安全信息

符号：	GHS02 GHS07
RTECS号	OD5672000
WGK Germany	3
安全术语	3
安全说明	S26-S36-S16
包装等级	III
风险术语	R10; R36/38
危险品标志	Xi
危险品运输编号	UN 3272 3/PG 3
危害声明	H226,H315,H319,H335
警示性声明	P261,P305+P351+P338
提示语	警告
储存条件	库房通风低温干燥,与氧化剂分开存放
PackingGroup	III
危险类别码	10-36/37/38
信号词	Warning
HazardClass	3

国际标准相关数据

EINECS	201-290-3

海关数据

海关编码	29181980
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%

海关编码

29181980

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%

相关文献

1. Alkaloids of Catha edulis. Part 3. Structures of cathedulins K1, K2, K6, and K15; new Macrolide-bridged polyesters of euonyminol
Leslie Crombie,W. Mary L. Crombie,Donald A. Whiting,Kalman Szendrei J. Chem. Soc. Perkin Trans. 1 1979 2976
2. Ethyl 2-hydroxy-2-methylpropanoate derivatives of magnesium and zinc. The effect of chelation on the homo- and copolymerization of lactide and ε-caprolactone
Vagulejan Balasanthiran,Malcolm H. Chisholm,Kittisak Choojun,Christopher B. Durr Dalton Trans. 2014 43 2781
3. Isolation and characterization of a novel bacterium Pseudomonas aeruginosa for biofertilizer production from kitchen waste oil
Ying Li,Ting Cui,Yaxin Wang,Xizhen Ge RSC Adv. 2018 8 41966
4. Modeling the catalyst resting state in aryl tin(iv) polymerizations of lactide and estimating the relative rates of transamidation, transesterification and chain transfer
Malcolm H. Chisholm,Ewan E. Delbridge,Judith C. Gallucci New J. Chem. 2004 28 145
5. Influences of nitrogen base excess on ARGET ATRP of styrene with ascorbic acid acetonide and traces of oxygen and water
Niccolò Braidi,Francesca Parenti,Giulia Scurani,Francesco Tassinari,Mirko Buffagni,Luisa Bonifaci,Gianfranco Cavalca,Nicolò Pettenuzzo,Franco Ghelfi Polym. Chem. 2023 14 1567
6. Novel chemoenzymatic oxidation of amines into oximes based on hydrolase-catalysed peracid formation
Daniel Méndez-Sánchez,Iván Lavandera,Vicente Gotor,Vicente Gotor-Fernández Org. Biomol. Chem. 2017 15 3196
7. Scandium alkyl and hydride complexes supported by a pentadentate diborate ligand: reactions with CO2 and N2O
Daniel W. Beh,Warren E. Piers,Iker del Rosal,Laurent Maron,Benjamin S. Gelfand,Chris Gendy,Jian-Bin Lin Dalton Trans. 2018 47 13680
8. Isolation and properties of a palladium PBP pincer complex featuring an ambiphilic boryl site
Danny Schuhknecht,Florian Ritter,Michael E. Tauchert Chem. Commun. 2016 52 11823
9. Alkaloids of Catha edulis. Part 4. Structures of cathedulins E3, E4, E5, E6, and K12. Novel sesquiterpene alkaloids with mono- and bismacrolide bridges
Robert L. Baxter,W. Mary L. Crombie,Leslie Crombie,Derek J. Simmonds,Donald A. Whiting,Kalman Szendrei J. Chem. Soc. Perkin Trans. 1 1979 2982
10. Conductimetric studies in ketonic solvents. Part IV. Various electrolyte parameters in wetted ketones
S. R. C. Hughes,S. H. White J. Chem. Soc. A 1966 1216

专业数据库参考

PubChemId	6653

参考资料

Reaxys RN	878308
Beilstein	3(2)223

2-羟基异丁酸乙酯 | 80-55-7

中国海关编码：

概述：

申报要素：

Summary：

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