2-Hydroxy-2-Methylbutyric Acid - Moligand™,10mM in DMSO , CAS No.3739-30-8

CAS: 3739-30-8 Cat. No.: H423684 Peso molecular: 118.13 Beilstein Registry Number: 3(2)228 Número EC: 223-120-7

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

A823623 | 1,3,5-Tri(2-furyl)-2,4-diazapenta-1,4-diene | Butanoic acid, 2-hydroxy-2-methyl- | Temik sulfone | 2-Hydroxy-2-methylbutanoic acid | 2-hydroxy-3,5-dinitro-N'-((5-nitrofuran-2-yl)methylene)benzohydrazide | PD099657 | AKOS009158750 | AS-60048 | DT

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

2-Hydroxy-2-methylbutyric acid can be used as:A complexing agent in a new electrolytic system, applicable in the isotachophoretic lanthanide separation.An aldehyde surrogate to prepare pyrrolo[1,2-a]quinoxaline derivatives by reacting with 2-(1H-pyrrol-1-yl)aniline.A starting material to synthesize Cr(V) reagent named sodium bis(2-hydroxy-2-methylbutyrato)oxochromate(V) (Aldrich cat. no. ALD00006) applicable in the total synthesis of (−)-taxuyunnanine D.

Specifications

Sinónimos

A823623 | 1, 3, 5-Tri(2-furyl)-2, 4-diazapenta-1, 4-diene | Butanoic acid, 2-hydroxy-2-methyl- | Temik sulfone | 2-Hydroxy-2-methylbutanoic acid | 2-hydroxy-3, 5-dinitro-N'-((5-nitrofuran-2-yl)methylene)benzohydrazide | PD099657 | AKOS009158750 | AS-60048 | DT

Especificaciones y pureza

Moligand™, 10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Nombres e identificadores

• Sonrisas canónicas: CCC(C)(C(=O)O)O
• IUPAC Name: 2-hydroxy-2-methylbutanoic acid
• InChIKey: MBIQENSCDNJOIY-UHFFFAOYSA-N
• INCHI: 1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)
• Isómeros SMILES: CCC(C)(C(=O)O)O
• WGK Alemania: 3
• Peso molecular: 118.13
• Beilstein: 3(2)228
• Reaxy-Rn: 1721186
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721186&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxy fatty acids
• Alternative Parents: Methyl-branched fatty acids Alpha hydroxy acids and derivatives Tertiary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched fatty acid - Hydroxy fatty acid - Methyl-branched fatty acid - Alpha-hydroxy acid - Hydroxy acid - Tertiary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group.
• 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

Propiedades químicas y físicas

• Punto de inflamación (°F): 111.8°C
• Punto de inflamación (°C): 111.8°C
• Punto de ebullición (°C): 109°C
• Punto de fusión (°C): 69.0-74.0°C
• Peso molecular: 118.130 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 118.063 Da
• Monoisotopic Mass: 118.063 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 99.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Jiao Liu, Danye Niu, Yu Tang, Ruoheng Zheng, Yinyin Qin, Xiuqin Cheng, Shubo Pan, Jinfei Yuan, Xiaohua Shi, Jiao Yang.  (2025)  Beta-hydroxy-beta-methylbutyrate (HMB) ameliorates DSS-induced colitis by inhibiting ERK/NF-κB activation in macrophages.  PHYTOMEDICINE,      [PMID:39978274] [10.1016/j.phymed.2025.156492]