2-Hydroxyhexanoic acid - 10mM in DMSO , CAS No.6064-63-7

CAS: 6064-63-7 Cat. No.: H425022 Peso molecular: 132.16

GRADE & PURITY 10mM in DMSO

Synonyms

dl-2-Hydroxyhexanoic acidHydroxyhexanoate | Hydroxy-n-caproic acid | 2-Hydroxyhexanoic acid | 2-hydroxy-hexanoic acid | BBL100513 | DL-.ALPHA.-HYDROXYCAPROIC ACID | SB85065 | W-200457 | 2-Hydroxyhexanoic acid, 98% | 2-hydroxycaproic acid | PD054545 | UNII

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Solubility of 2-hydroxyhexanoic acid in supercritical CO2 has been studied

Specifications

Sinónimos

dl-2-Hydroxyhexanoic acidHydroxyhexanoate | Hydroxy-n-caproic acid | 2-Hydroxyhexanoic acid | 2-hydroxy-hexanoic acid | BBL100513 | DL-.ALPHA.-HYDROXYCAPROIC ACID | SB85065 | W-200457 | 2-Hydroxyhexanoic acid, 98% | 2-hydroxycaproic acid | PD054545 | UNII

Especificaciones y pureza

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.

Nombres e identificadores

• Sonrisas canónicas: CCCCC(C(=O)O)O
• IUPAC Name: 2-hydroxyhexanoic acid
• InChIKey: NYHNVHGFPZAZGA-UHFFFAOYSA-N
• INCHI: 1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
• Isómeros SMILES: CCCCC(C(=O)O)O
• WGK Alemania: 3
• Peso molecular: 132.16
• Reaxy-Rn: 1721752
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721752&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: Medium-chain fatty acids
• Alternative Parents: Hydroxy fatty acids Monosaccharides Alpha hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Hydroxy fatty acid - Alpha-hydroxy acid - Hydroxy acid - Monosaccharide - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• 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 fusión (°C): 60-62 °C
• Peso molecular: 132.160 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 132.079 Da
• Monoisotopic Mass: 132.079 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 90.300
• 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