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3-hydroxy-2-methylpropanoic acid

Dangerous Goods

CAS number：2068-83-9    molecular formula：C4H8O3

overview
Specs
numbering system
physicochemical properties
Safety information
Production methods and uses
Related
MSDS
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overview

compound introduction

3-hydroxyisobutyric acid is a 4-carbon, branched hydroxy fatty acid and intermediate in the metabolism of valine. It is functionally related to a propionic acid. It is a conjugate acid of a 3-hydroxyisobutyrate.

Specs

Chinese alias-
English alias3-Hydroxy-2-methyl propanoic acid | A936209 | rac 3-Hydroxyisobutyric Acid Sodium Salt | K75C8JDF5W | SCHEMBL61073 | AB88450 | (+/-)-3-HYDROXY-2-METHYLPROPANOIC ACID | DTXSID20862824 | 3-Hydroxyisobutyric acid | DBXBTMSZEOQQDU-UHFFFAOYSA-N | propanoic aci
CAS number2068-83-9molecular formulaC4H8O3
molecular weight104.10Exact mass≥97%
PSA57.5logp-0.4

numbering system

CAS2068-83-9
UNIIK75C8JDF5W
KEGG IDC01188
ChEBI ID18064
WikidataQ2823215
Wikipedia3-Hydroxyisobutyric_acid
PubChem CID87
Nikkaji NumberJ740.168J
DSSTox Substance IDDTXSID20862824
Metabolomics Workbench ID107776
European Community (EC) Number819-819-7
PubChem Reference Collection SID516557319

physicochemical properties

XLogP3XLogP3-AA: -0.4
复杂性69.3
Exact Mass104.047344113
形式电荷0
重原子计数7
Molecular Weight104.10
Monoisotopic Mass104.047344113
可旋转键计数2
氢键供体计数2
氢键受体计数3
共价键单元计数1
同位素原子计数0
拓扑极性表面积57.5 Ų
定义键立体中心计数0
定义原子立体中心计数0
未定义键立体中心计数0
未定义原子手性中心计数1

Safety information

危害类别和分类：
STOT SE 3 (100%)

Production methods and uses

purpose
工业应用参考：
工业分类参考：医药制造业。 应用场景参考：适用于实验室研发、教学科研和技术验证场景，常用于新产品开发、方法建立和样品评估 。 作用参考：可作为基础工业材料参与合成、提纯或改性过程，为后续产品制造和工艺放大提供支撑 。 选型提示：涉及安全应用管理时，仍应以 MSDS、产品详情页和现场工艺控制要求为准，不应由参考文案替代 。

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MSDS

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