α-Hydroxyisobutyric acid - 10mM in DMSO , CAS No.594-61-6

CAS: 594-61-6 Cat. No.: H424955 Summenformel: C₄H₈O₃ Molekulargewicht: 104.1 Beilstein Registry Number: 1744739 EG-Nummer: 209-848-8

GRADE & PURITY 10mM in DMSO

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

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

α-Hydroxyisobutyric acid (2-hydroxyisobutyric acid) is the building block for polymer synthesis. It forms complexes with Eu(III) and has been studied by time resolved fluorescence spectroscopy

Application

2-Hydroxyisobutyric acid is used as an electrolyte in the separation of the metal ions by on-line cyclic voltammetry. It is also used as a building block for the synthesis of polymers. Its conjugate base, 2-hydroxybutyrate is utilized to catabolize L-threonine as well as synthesize glutathione. Further, it is used as an indicator for the early detection insulin resistance in non-diabetic subjects.

Specifications

Synonyme

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

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Pubchem Sid

528757572

Kanonisches Lächeln

CC(C)(C(=O)O)O

IUPAC Name

2-hydroxy-2-methylpropanoic acid

InChIKey

BWLBGMIXKSTLSX-UHFFFAOYSA-N

INCHI

1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)

Isomere SMILES

CC(C)(C(=O)O)O

WGK Deutschland

3

Molekulargewicht

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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Hydroxy acids and derivatives
      • Subclass Alpha hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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.

DOI: 10.1186/s13321-016-0174-y

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive.
• Siedepunkt (°C): 84 °C/1.5 mmHg
• Schmelzpunkt (°C): 76-80°C
• Molekulargewicht: 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