3-Hydroxytetradecanoic Acid - ≥98%(GC) , CAS No.1961-72-4

CAS: 1961-72-4 Cat. No.: H131827 分子式: C₁₄H₂₈O₃ 分子量: 244.38

GRADE & PURITY ≥98%(GC)

Synonyms

(RS)-3-Hydroxytetradecanoic acid | starbld0000280 | LMFA01050175 | 3-HYDROXYTETRADECANOIC ACID | 3-HYDROXY-TETRADECANOIC ACID | Z6X | (+/-)-3-Hydroxytetradecanoic acid | Tetradecanoic acid, 3-hydroxy- (6CI,7CI,8CI,9CI) | beta-Hydroxymyristic acid | beta-h

Storage

Room temperature

Shipped In

Normal

概要

3-Hydroxytetradecanoic acidis a saturated fatty acid. 3-Hydroxytetradecanoic acidOccurs naturally in various animal and plant sources such as butter and milk fat. 3-Hydroxytetradecanoic acidIt has various uses in industry, especially in the production of soaps, detergents and other surfactants. 3-Hydroxytetradecanoic acidIt is also used as a precursor for the synthesis of other bioactive compounds such as antibiotics and anticancer drugs.

Specifications

同義語

(RS)-3-Hydroxytetradecanoic acid | starbld0000280 | LMFA01050175 | 3-HYDROXYTETRADECANOIC ACID | 3-HYDROXY-TETRADECANOIC ACID | Z6X | (+/-)-3-Hydroxytetradecanoic acid | Tetradecanoic acid, 3-hydroxy- (6CI,7CI,8CI,9CI) | beta-Hydroxymyristic acid | beta-h

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 488182202
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488182202
• カノニカル・スマイル: CCCCCCCCCCCC(CC(=O)O)O
• IUPAC Name: 3-hydroxytetradecanoic acid
• InChIKey: ATRNZOYKSNPPBF-UHFFFAOYSA-N
• INCHI: 1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
• 異性体SMILES: CCCCCCCCCCCC(CC(=O)O)O
• RTECS: XB8585000
• 分子量: 244.38
• Reaxy-Rn: 1725372
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1725372&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: Long-chain fatty acids
• Alternative Parents: Hydroxy fatty acids Beta hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Hydroxy fatty acid - Beta-hydroxy acid - Hydroxy acid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• 説明: 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: Hydroxy 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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 80 °C
• 分子量: 244.370 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 244.204 Da
• Monoisotopic Mass: 244.204 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 180.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1