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α-Hydroxyisobutyric acid - 99%, high purity , CAS No.594-61-6
Basic Description
Synonyms
Propanoic acid, 2-hydroxy-2-methyl- | 2-hydroxy-2-methylpropanoicacid | Q2735617 | l-2-methyllactate | NCGC00090926-01 | acide 2-hydroxy-2-methylpropanoique | a-hydroxyisobutyric acid | C21297 | MFCD00004459 | STR04462 | Acetonic acid | SCHEMBL29373 | 2-H
Specifications & Purity
≥99%
Product Description
Description
α-Hydroxyisobutyric acid (HIBA) can be used as:A chelating agent to improve the separation of lanthanides and actinides by liquid chromatography.In the synthesis of room temperature–stabilized, pure, nanocrystalline β-NiMoO4.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Hydroxy acids and derivatives
Subclass
Alpha hydroxy acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Alpha hydroxy acids and derivatives
Alternative Parents
Tertiary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Alpha-hydroxy acid - Tertiary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon.
External Descriptors
Hydroxy fatty acids
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-hydroxy-2-methylpropanoic acid
INCHI
InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)
InChIKey
BWLBGMIXKSTLSX-UHFFFAOYSA-N
Smiles
CC(C)(C(=O)O)O
Isomeric SMILES
CC(C)(C(=O)O)O
WGK Germany
3
Molecular Weight
104.1
Beilstein
1744739
Reaxy-Rn
1744739
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744739&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
84 °C/1.5 mmHg
Melt Point(°C)
76-80°C
Molecular Weight
104.100 g/mol
XLogP3
-0.400
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
104.047 Da
Monoisotopic Mass
104.047 Da
Topological Polar Surface Area
57.500 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
84.900
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Shuai Yuan, Mingyong Zhou, Xijiang Liu, Bingyan Jiang.
(2023)
Effect of pressure-driven flow on electroosmotic flow and electrokinetic mass transport in microchannels. INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER,
206
(123925).
2.
Ting Song, Piyong Zhang, Jian Zeng, Tingting Wang, Atif Ali, Heping Zeng.
(2017)
In Situ Construction of Globe-like Carbon Nitride as a Self-Cocatalyst Modified Tree-like Carbon Nitride for Drastic Improvement in Visible-Light Photocatalytic Hydrogen Evolution. ChemCatChem,
9
(21):
(4035-4042).
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2 Citations
A2404187