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

CAS: 57-11-4 Cat. No.: S754992 분자식: C₁₈H₃₆O₂ 분자량: 284.48 Beilstein Registry Number: 608585 EC 번호: 200-313-4 PubChem CID: 5281

등급 & 순도 Moligand™, ≥98.5%(GC), Grade I

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

Stearic acid is a C₁₈ saturated fatty acid.

Application:

Stearic acid has been used in fatty acid preparations.

사양

사양 및 순도

Moligand™, ≥98.5%(GC), Grade I

생화학 및 생리적 메커니즘

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.

보관 조건

Store at 2-8°C

배송

Wet ice

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등급

Moligand™

순수함

≥98.5%(GC)

이름과 식별자

정식 스마일

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)

이성체 SMILES

CCCCCCCCCCCCCCCCCC(=O)O

WGK 독일

1

RTECS

WI2800000

PubChem CID

5281

분자량

284.48

Beilstein

608585

Reaxy-Rn

608585

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: chloroform: 100 mg/mL, clear, colorless
• 발화점(°F): 235.4 °F
• 발화점(°C): 196 ℃
• 끓는점(°C): 361℃
• 녹는점(°C): 69.6°C
• 분자량: 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