Isopalmitic acid - ≥98% , CAS No.4669-02-7

CAS: 4669-02-7 Cat. No.: I331400 Formula: C₁₆H₃₂O₂ Peso molecolare: 256.42 Numero EC: 636-922-0

QUALITÀ & PUREZZA ≥98%

Synonyms

14-methyl pentadecylic acid|Isohexadecanoic acid|Pentadecanoic acid, 14-methyl-|14-Methylpentadecanoic acid|14-methyl-pentadecanoic acid|ISOPALMITIC ACID

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifiche

Sinonimi

14-methyl pentadecylic acid | Isohexadecanoic acid | Pentadecanoic acid, 14-methyl- | 14-Methylpentadecanoic acid | 14-methyl-pentadecanoic acid | ISOPALMITIC ACID

Specifiche e purezza

≥98%

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

≥98%

Nomi e identificatori

Pubchem Sid

504753548

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753548

Sorrisi canonici

CC(C)CCCCCCCCCCCCC(=O)O

IUPAC Name

14-methylpentadecanoic acid

InChIKey

ZONJATNKKGGVSU-UHFFFAOYSA-N

INCHI

1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)

Isomeri SMILES

CC(C)CCCCCCCCCCCCC(=O)O

Peso molecolare

256.42

Reaxy-Rn

1776629

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1776629&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: Long-chain fatty acids
• Alternative Parents: Methyl-branched fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Methyl-branched 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 long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 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

• Solubilità: DMF: soluble；DMSO: soluble；Ethanol: soluble
• Punto di fusione (°C): 61.5-61.6 °C
• Peso molecolare: 256.420 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 256.24 Da
• Monoisotopic Mass: 256.24 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 188.000
• 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