(S)-(-)-2-羟基-3,3-二甲基丁酸 | 21641-92-9
中文名称:
(S)-(-)-2-羟基-3,3-二甲基丁酸
英文名称:
(S)-2-Hydroxy-3,3-dimethylbutanoic acid
CAS No.:
21641-92-9
分子式:
C6 H1 2 O3
分子量:
132.1577
名称和标识符
MDL
MFCD00192212
InChIKey
FWVNWTNCNWRCOU-SCSAIBSYSA-N
Inchi
1S/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)/t4-/m1/s1
SMILES
O([H])[C@]([H])(C(=O)O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
别名信息
- 中文别名 -
(S)-(-)-2-羟基-3,3-二甲基丁酸
(S)-2-羟基-3,3-二甲基丁酸
- 英文别名 -
(S)-2-Hydroxy-3,3-dimethylbutanoic acid
(S)-(-)-2-Hydroxy-3,3-dimethylbutyric acid
Butanoic acid, 2-hydroxy-3,3-dimethyl-, (2S)-
(2S)-2-Hydroxy-3,3-dimethylbutyric acid
(S)-(-)-2-HYDROXY-TERT-BUTYLACETIC ACID
(S)-(+)-2-Hydroxy-3,3-dimethylbutanoic acid
(S)-3,3-dimethyl-2-hydroxybutanoic acid
(S)-3,3-dimethyl-2-hydroxybutyric acid
Butanoicacid, 2-hydroxy-3,3-dimethyl-, (S)-
Butyric acid, 2-hydroxy-3,3-dimethyl-,L-(+)- (8CI)
(+)-2-Hydroxy-3,3-dimethylbutyric acid
(2S)-2-Hydroxy-3,3-dimethylbutanoic acid
(S)-Trimethyllactic acid
L-a-Trimethyllactate
(S)-2-Hydroxy-3,3-dimethylbutanoicacid
(S)-2-hydroxy-3,3-dimethyl-butyric acid
(2S)-2-hydroxy-3,3-dimethyl-butanoic acid
AK135563
(2S)-2-Hydroxy-3,3-dimethylbutanoic acid homopolymer
FWVNWTNCNWRCOU-SCSAIBSYSA-N
FC0795
FCH964085
(S)-3,3-Dimethyl-2-hydroxybutyric acid
(2S)-2-hydroxy-3, 3-dimethylbutanoic acid
(S)-(-)-2-Hydroxy-3,3-dimethylbutyric acid, 97%
EN300-1132065
(R)-TRIMETHYLLACTIC ACID
MFCD00192212
(s)-3,3-dimethyl-2-hydroxybutyric acid
CS-W005786
(S)-(-)-2-Hydroxy-tert-butylacetic acid
AKOS016846181
AMY13579
WAA64192
21641-92-9
(S)-2-hydroxy-3,3-dimethylbutanoicacid
(S)-2-hydroxy-3,3-dimethylbutanoic acid
(2S)-3,3-dimethyl-2-oxidanyl-butanoic acid
851866-86-9
DS-5093
J-014202
(2S)-2-hydroxy-3,3-dimethylbutanoic acid
SCHEMBL640168
A815568
BP-12914
(S)-(?)-2-Hydroxy-3,3-dimethylbutyric acid
物化性质
实验特性
LogP
-0.85670
PSA
60.36000
折射率
1.459
沸点
242.4ºC at 760mmHg
熔点
48-50 °C (lit.)
闪点
114.6ºC
颜色与性状
White to Yellow Solid
溶解性
未确定
比旋光度
-62 º (c=1 in H2O)
光学活性
[α]20/D −64±5°, c = 1 in H2O/molybdate
密度
1.1g/cm3
计算特性
精确分子量
131.07100
氢键供体数量
2
氢键受体数量
3
可旋转化学键数量
2
同位素质量
132.079
重原子数量
9
复杂度
112
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)
0.9
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
57.5
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%