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

CAS: 5681-98-1 Cat. No.: M352372 分子式: C₁₃H₂₆O₂ 分子量: 214.34 EC番号: 633-481-6

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥95%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

パブケム・シド

504753494

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504753494

カノニカル・スマイル

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)

異性体SMILES

CC(C)CCCCCCCCCC(=O)O

分子量

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
    • 分類 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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