3-Hydroxyoctanoic acid - ≥95% , CAS No.88930-08-9

CAS: 88930-08-9 Cat. No.: H275940 Fórmula: C₈H₁₆O₃ Peso molecular: 160.21

GRADE & PURITY ≥95%

Synonyms

beta-OH-caprylic acid | FT-0692189 | HY-113058 | Z982131990 | 3HO | PD077430 | UNII-8M44B02CSJ | 3-OH octanoic acid | 3-HYDROXYOCTANOIC ACID, (+/-)- | Octanoic acid,3-hydroxy- | (+/-)-3-Hydroxyoctanoic acid | beta-OH-octanoic acid | 8M44B02CSJ | CHEBI:370

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

beta-OH-caprylic acid | FT-0692189 | HY-113058 | Z982131990 | 3HO | PD077430 | UNII-8M44B02CSJ | 3-OH octanoic acid | 3-HYDROXYOCTANOIC ACID, (+/-)- | Octanoic acid,3-hydroxy- | (+/-)-3-Hydroxyoctanoic acid | beta-OH-octanoic acid | 8M44B02CSJ | CHEBI:370

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

3-Hydroxy fatty acid. Substrate for Pseudomonas depolymerase. Use as standard, in analysis and biological systems.s

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Desiccated

Enviado en

Ice chest + Ice pads

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

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504753341
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753341
• Sonrisas canónicas: CCCCCC(CC(=O)O)O
• IUPAC Name: 3-hydroxyoctanoic acid
• InChIKey: NDPLAKGOSZHTPH-UHFFFAOYSA-N
• INCHI: 1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
• Isómeros SMILES: CCCCCC(CC(=O)O)O
• CAS alternativo: 14292-27-4
• Peso molecular: 160.21
• Reaxy-Rn: 1760767
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1760767&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Hydroxy acids and derivatives
      • Subclass Medium-chain hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Hydroxy acids and derivatives
• Subclass: Medium-chain hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain hydroxy acids and derivatives
• Alternative Parents: Medium-chain fatty acids Hydroxy fatty acids Beta 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 hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Fatty acyl - Fatty acid - 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 hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
• 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

• Solubilidad: Soluble in ethanol
• Peso molecular: 160.210 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 160.11 Da
• Monoisotopic Mass: 160.11 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 112.000
• 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