Stearic acid - Moligand™, ≥98.5%(GC), Grade I , CAS No.57-11-4

CAS: 57-11-4 Cat. No.: S754992 分子式: C₁₈H₃₆O₂ 分子量: 284.48 Beilstein Registry Number: 608585 EC番号: 200-313-4 PubChem CID: 5281

グレード＆純度 Moligand™, ≥98.5%(GC), Grade I

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

Stearic acid is a C₁₈ saturated fatty acid.

Application:

Stearic acid has been used in fatty acid preparations.

仕様

仕様と純度

Moligand™, ≥98.5%(GC), Grade I

生化学的・生理学的メカニズム

β-stearic acid oxidation produces 8 molecules of FADH2 (flavin adenine dinucleotide) and NADH2 (nicotinamide adenine dinucleotide), as well as 9 molecules of acetyl-CoA.

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥98.5%(GC)

名前と識別子

カノニカル・スマイル

CCCCCCCCCCCCCCCCCC(=O)O

IUPAC Name

octadecanoic acid

InChIKey

QIQXTHQIDYTFRH-UHFFFAOYSA-N

INCHI

1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)

異性体SMILES

CCCCCCCCCCCCCCCCCC(=O)O

WGKドイツ

1

RTECS

WI2800000

PubChem CID

5281

分子量

284.48

Beilstein

608585

Reaxy-Rn

608585

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: 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: Straight chain 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

化学的性質と物理的性質

• 溶解度: chloroform: 100 mg/mL, clear, colorless
• 引火点（°F）: 235.4 °F
• 引火点（°C）: 196 ℃
• 沸点（°C）: 361℃
• 融点（°C）: 69.6°C
• 分子量: 284.500 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 284.272 Da
• Monoisotopic Mass: 284.272 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 202.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1