11-Methyllauric acid - ≥95% , CAS No.5681-98-1

CAS: 5681-98-1 Cat. No.: M352372 Formula: C₁₃H₂₆O₂ Peso molecolare: 214.34 Numero EC: 633-481-6

GRADE & PURITY ≥95%

Synonyms

11-Methyldodecanoic acid, Isotridecanoic acid | Isotridecanoic acid | Isoundecylic acid | Q27146900 | 11-Methyllauric acid, >=98% | HY-W127517 | 11-methyllauric acid | iso-C13:0 | 11-METHYLDODECANOICACID | W-110634 | C13:0 iso | EINECS 246-997-8 | LMFA010

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

11-Methyldodecanoic acid, Isotridecanoic acid | Isotridecanoic acid | Isoundecylic acid | Q27146900 | 11-Methyllauric acid, >=98% | HY-W127517 | 11-methyllauric acid | iso-C13:0 | 11-METHYLDODECANOICACID | W-110634 | C13:0 iso | EINECS 246-997-8 | LMFA010

Specifiche e purezza

≥95%

Meccanismi biochimici e fisiologici

11-Methyl-lauric (11-Methyldodecanoic) acid is a methylated 13-carbon analog of the 12-carbon chain saturated fatty acid lauric acid. 11-Methyllauric may be used in comparative studies of the ability of medium chain saturated fatty acids to modulate infla

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 504753494
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753494
• Sorrisi canonici: CC(C)CCCCCCCCCC(=O)O
• IUPAC Name: 11-methyldodecanoic acid
• InChIKey: SIOLDWZBFABPJU-UHFFFAOYSA-N
• INCHI: 1S/C13H26O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
• Isomeri SMILES: CC(C)CCCCCCCCCC(=O)O
• Peso molecolare: 214.34
• Reaxy-Rn: 1767822
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1767822&ln=

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: Medium-chain fatty acids
• Alternative Parents: Branched fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Branched 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
• Descrizione: 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: Branched 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

Proprietà chimiche e fisiche

• Peso molecolare: 214.340 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 214.193 Da
• Monoisotopic Mass: 214.193 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 153.000
• 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