Lauric acid-1-¹³C - ≥99 atom% 13C , CAS No.93639-08-8

CAS: 93639-08-8 Cat. No.: L473995 Peso molecular: 201.31 Número EC: 622-018-3

GRADE & PURITY ≥99 atom% 13C

Synonyms

AKOS040754774 | Lauric acid-1-13C | Dodecanoic-1-13C acid(9CI) | (113C)dodecanoic acid | HY-Y0366S | DTXSID30481363 | Dodecanoicacid-1-13c | starbld0016601 | Lauric acid-1-(13-C) | Dodecanoic acid-1-13C | Lauric acid-1-13C, 99 atom % 13C | Lauric acid-1-1

Storage

Protected from light,Room temperature

Shipped In

Normal

Descripción general

Lauric acid-¹³C is the ¹³C labeled Lauric acid. Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively.

Specifications

Sinónimos

AKOS040754774 | Lauric acid-1-13C | Dodecanoic-1-13C acid(9CI) | (113C)dodecanoic acid | HY-Y0366S | DTXSID30481363 | Dodecanoicacid-1-13c | starbld0016601 | Lauric acid-1-(13-C) | Dodecanoic acid-1-13C | Lauric acid-1-13C, 99 atom % 13C | Lauric acid-1-1

Especificaciones y pureza

≥99 atom% 13C

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥99 atom% 13C

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCC(=O)O
• IUPAC Name: (113C)dodecanoic acid
• InChIKey: POULHZVOKOAJMA-HNHCFKFXSA-N
• INCHI: 1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/i12+1
• Isómeros SMILES: CCCCCCCCCCC[13C](=O)O
• CAS alternativo: 143-07-7 (unlabeled)
• Peso molecular: 201.31
• Reaxy-Rn: 1099477
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099477&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-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: Medium-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
• Descripción: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 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

Propiedades químicas y físicas

• Sensibilidad: light and moisture sensitive
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 225℃/100mmHg (lit.)
• Punto de fusión (°C): 44-46℃ (lit.)
• Peso molecular: 201.310 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 201.181 Da
• Monoisotopic Mass: 201.181 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 132.000
• 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