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

CAS: 57-11-4 Cat. No.: S754992 Formula: C₁₈H₃₆O₂ Molecular Weight: 284.48 Beilstein Registry Number: 608585 EC Number: 200-313-4 PubChem CID: 5281

GRADE & PURITY Moligand™, ≥98.5%(GC), Grade I

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Stearic acid is a C₁₈ saturated fatty acid.

Application:

Stearic acid has been used in fatty acid preparations.

Specifications

Specifications & Purity

Moligand™, ≥98.5%(GC), Grade I

Biochemical and Physiological Mechanisms

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.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98.5%(GC)

Names and Identifiers

Canonical Smiles

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)

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O

WGK Germany

1

RTECS

WI2800000

PubChem CID

5281

Molecular Weight

284.48

Beilstein

608585

Reaxy-Rn

608585

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: chloroform: 100 mg/mL, clear, colorless
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 196 ℃
• Boil Point(°C): 361℃
• Melt Point(°C): 69.6°C
• Molecular Weight: 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