1487-49-6 (R-3-羟基丁酸甲酯,Methyl 3-Hydroxybutyrate)

CAS号:
1487-49-6
中文名称:
R-3-羟基丁酸甲酯
英文名称:
Methyl 3-Hydroxybutyrate
分子式:
C5H10O3
分子量:
118.131102085114

R-3-羟基丁酸甲酯(1487-49-6)名称与标识符

名称

中文别名:
R-3-羟基丁酸甲酯;(R)-3-羟基丁酸甲酯;3-羟基丁酸甲酯;DL-3-羟基丁酸甲酯;
英文别名:
Butanoic acid,3-hydroxy-, methyl ester;methyl 3-hydroxybutanoate;βButyric acid, 3-hydroxy-, methyl ester;CH3CH(OH)CH2C(O)OCH3;-hydroxybutyrate;-Hydroxybutyric acid, methyl ester;Methyl βMethyl 3-hydroxybutyrate;3-hydroxybutanoate;3-Hydroxybutyric acid methyl;3-Hydroxybutanoic acid methyl;2-Methyl-3-hydroxybutanoic acid;(RS)- Methyl-3-hydroxybutanoate;3-Hydroxybutyric acid methyl ester;Methyl 3-hydroxybutyrate >=95.0% (GC);CHEBI:173462;InChI=1/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3;SY018984;Methyl3-hydroxybutanoate;EN300-95930;DTXSID70862677;SY018985;Methyl-3-hydroxybutyrate;AKOS009156905;CS-0161084;EINECS 216-068-1;AMY3321;UNII-S36O46U3EA;.beta.-Hydroxybutyric acid, methyl ester;formyl 3-hydroxy-butanoate;FEMA NO. 4450, (+/-)-;3-Hydroxybutanoic acid, Methyl ester;S36O46U3EA;SY316314;SR-01000945004-1;Q27288521;NS00045478;SCHEMBL53570;Methyl 3-hydroxy-butanoate;SB44701;methyl (RS)-3-hydroxybutyrate;LDLDJEAVRNAEBW-UHFFFAOYSA-;AS-19993;(S)-Methyl3-Hydroxybutanoate;MFCD00129999;Butanoic acid, 3-hydroxy-, methyl ester;SR-01000945004;2,4,6-Trianilino(p-carbo-2-ethylhexyloxy)-1,3,5-triazine;FT-0605058;A7792;BCP12973;(+/-)-Methyl 3-hydroxybutanoate;LMFA07010513;WE(1:0/4:0(3OH));Methyl .beta.-hydroxybutyrate;Methyl 3-hydroxybutyrate, >=95%;1487-49-6;Methyl 3-hydroxybutyrate, >=95.0% (GC);FT-0628827;(R)-3-hydroxybutyric acid methyl ester;(R)-methyl 3-hydroxybutanoate,methyl R-3-hydroxybutanoate;DTXCID70811408;beta-Hydroxybutyric acid, methyl ester;DS-002517;(S)-3-hydroxybutyric acid methyl ester;Butyric acid, 3-hydroxy-, methyl ester (6CI,7CI,8CI); (+/-)-Methyl 3-hydroxybutanoate; 3-Hydroxybutyric acid methyl ester; Methyl (RS)-3-hydroxybutyrate; Methyl 3-hydroxybutanoate; Methyl beta-hydroxybutyrate;Methyl beta-hydroxybutyrate;

标识符

MDL:
MFCD00129999
InChIKey:
LDLDJEAVRNAEBW-UHFFFAOYSA-N
Inchi:
1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3
SMILES:
OC(C)CC(=O)OC

R-3-羟基丁酸甲酯(1487-49-6)物化性质

实验特性

  • LogP : -0.06970
  • PSA : 46.53000
  • 折射率 : 1.4056 (estimate)
  • 沸点 : 160.67°C (rough estimate)
  • 闪点 : 71℃
  • FEMA : 4450 | METHYL 3-HYDROXYBUTYRATE
  • 颜色与性状 : 透明 无色 液体
  • 比旋光度 : -21.5 o (NEAT)
  • 密度 : 1.0889 (rough estimate)

计算特性

  • 精确分子量 : 118.063
  • 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 : 118.063
  • 重原子数量 : 8
  • 复杂度 : 79.7
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 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) : -0.2
  • 拓扑分子极性表面积 : 46.5A^2

R-3-羟基丁酸甲酯(1487-49-6)安全信息

R-3-羟基丁酸甲酯(1487-49-6)国际标准相关数据

EINECS:
216-068-1

R-3-羟基丁酸甲酯(1487-49-6)生产方法和用途

用途:
用作制香料和调味品的溶剂。

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