9,10-Dihydroxystearic acid - ≥98% , CAS No.120-87-6

CAS: 120-87-6 Cat. No.: D345722 Fórmula: C₁₈H₃₆O₄ Peso molecular: 316.48 Número CE: 204-432-2 PubChem CID: 89377

GRADE & PURITY ≥98%

Synonyms

rac threo-9,10-Dihydroxystearic Acid | rashayan dihydroxystearic acid | (9R,10R)-rel-9,10-Dihydroxyoctadecanoic Acid | Octadecanoic acid, 9,10-dihydroxy- | 9,10-Dihydroxyoctadecanoic acid | AKOS000277636 | Octadecanoic acid,10-dihydroxy- | MFCD00053547 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

rac threo-9,10-Dihydroxystearic Acid | rashayan dihydroxystearic acid | (9R,10R)-rel-9,10-Dihydroxyoctadecanoic Acid | Octadecanoic acid, 9,10-dihydroxy- | 9,10-Dihydroxyoctadecanoic acid | AKOS000277636 | Octadecanoic acid,10-dihydroxy- | MFCD00053547 |

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: CCCCCCCCC(C(CCCCCCCC(=O)O)O)O
• IUPAC Name: 9,10-dihydroxyoctadecanoic acid
• InChIKey: VACHUYIREGFMSP-UHFFFAOYSA-N
• INCHI: 1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
• SMILES isoméricas: CCCCCCCCC(C(CCCCCCCC(=O)O)O)O
• PubChem CID: 89377
• Peso molecular: 316.48

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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 1,2-diols 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 - 1,2-diol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 77-86° C
• Peso molecular: 316.500 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 316.261 Da
• Monoisotopic Mass: 316.261 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 255.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 120-87-6, the molecular formula is C18H36O4, and the molecular weight is 316.48 g/mol. InChIKey VACHUYIREGFMSP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.