12-Hydroxystearic Acid （12-HSA） - ≥80%(GC) , CAS No.106-14-9

CAS: 106-14-9 Cat. No.: H157144 Peso molecular: 300.48 Beilstein Registry Number: 1726730 Número EC: 203-366-1

GRADE & PURITY ≥80%(GC)

Synonyms

12-HSA | Hydroxystearic acid | 12-Hydroxyoctadecanoic Acid

Storage

Room temperature

Shipped In

Normal

Descripción general

Non-isothermal nucleation rate of a self-assembling fibrillar network of 12-HSA in canola oil has been reported. It is commonly used as gelling agent for organic solvents. Self-assembled monolayers of 12-hydroxyoctadecanoic acid and its 4,4′-bipyridinium salt have been observed on the solution graphite interface using scanning tunnelling microscopy.
It was used in the preparation of vegetable oil based organogels and gel′s in-situ supramolecular network structure has been investigated by cryo-scanning electron microscopy.

Specifications

Sinónimos

12-HSA | Hydroxystearic acid | 12-Hydroxyoctadecanoic Acid

Especificaciones y pureza

≥80%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥80%(GC)

Nombres e identificadores

• Pubchem Sid: 504751454
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751454
• Sonrisas canónicas: CCCCCCC(CCCCCCCCCCC(=O)O)O
• IUPAC Name: 12-hydroxyoctadecanoic acid
• InChIKey: ULQISTXYYBZJSJ-UHFFFAOYSA-N
• INCHI: 1S/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
• Isómeros SMILES: CCCCCCC(CCCCCCCCCCC(=O)O)O
• WGK Alemania: 3
• RTECS: WI3850000
• Peso molecular: 300.48
• Beilstein: 1726730
• Reaxy-Rn: 1726730
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1726730&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: Long-chain fatty acids
• Alternative Parents: Hydroxy fatty acids Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Hydroxy fatty acid - Secondary 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
• Descripción: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: Other Octadecanoids

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

Objetivos asociados (humanos)

PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

Discover Target: PPARA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CRABP2 Tchem Cellular retinoic acid-binding protein II (10 Activities)

Discover Target: CRABP2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Oryctolagus cuniculus (11301 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water; Soluble in Methanol,Ether,Chloroform
• Punto de ebullición (°C): 180 °C
• Punto de fusión (°C): 78 °C
• Peso molecular: 300.500 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 16
• Exact Mass: 300.266 Da
• Monoisotopic Mass: 300.266 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 229.000
• 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

Referencias

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