Stearic acid-1-¹³C - ≥99 atom% 13C,≥98% , CAS No.85541-42-0

CAS: 85541-42-0 Cat. No.: S473979 Fórmula: CH₃(CH₂)₁₆¹³CO₂H Peso molecular: 285.47 Número CE: 693-109-3

GRADE & PURITY ≥99 atom% 13C,≥98%

Synonyms

Octadecanoicacid-1-13c | starbld0016661 | Octadecanoic acid-1-13C | Stearic acid-1-13C, 99 atom % 13C | DTXSID70583512 | (1-~13~C)Octadecanoic acid | Stearic acid-1-13C | SCHEMBL1331390 | (113C)octadecanoic acid | HY-B2219S | AKOS030243052 | Stearic Acid-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Stearic acid-1-13C is the 13C labeled Stearic acid. Stearic acid is a long chain dietary saturated fatty acid which exists in many animal and vegetable fats and oils.

Specifications

Sinónimos

Octadecanoicacid-1-13c | starbld0016661 | Octadecanoic acid-1-13C | Stearic acid-1-13C, 99 atom % 13C | DTXSID70583512 | (1-~13~C)Octadecanoic acid | Stearic acid-1-13C | SCHEMBL1331390 | (113C)octadecanoic acid | HY-B2219S | AKOS030243052 | Stearic Acid-

Especificações e pureza

≥99 atom% 13C,≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99 atom% 13C,≥98%

Nomes e identificadores

• Sorrisos canónicos: CCCCCCCCCCCCCCCCCC(=O)O
• IUPAC Name: (113C)octadecanoic acid
• InChIKey: QIQXTHQIDYTFRH-CPZJZEHKSA-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)/i18+1
• SMILES isoméricas: CCCCCCCCCCCCCCCCC[13C](=O)O
• WGK Alemanha: 3
• CAS alternativo: 57-11-4(unlabelled)
• Peso molecular: 285.47

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: 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
• 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: Not available

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

Propriedades químicas e físicas

• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 361 °C (lit.)
• Ponto de fusão (°C): 68-70 °C (lit.)
• Peso molecular: 285.500 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 285.275 Da
• Monoisotopic Mass: 285.275 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 202.000
• Isotope Atom Count: 1
• 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