Isooctyl palmitate - ≥97% , CAS No.1341-38-4

CAS: 1341-38-4 Cat. No.: I298775 Fórmula: C₂₄H₄₈O₂ Peso molecular: 368.6367 Número CE: 215-675-9

GRAU & PUREZA ≥97%

Synonyms

SCHEMBL79881 | 6-Methylheptyl palmitate | DS-6369 | DTXSID00909862 | BAA34138 | D97396 | NSC 6383 | MFCD00152588 | AKOS015901669 | EINECS 203-356-7 | EINECS 215-675-9 | Isooctyl palmitate | ?Isooctyl palmitate | Hexadecanoic acid, isooctyl ester | 6-methy

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

SCHEMBL79881 | 6-Methylheptyl palmitate | DS-6369 | DTXSID00909862 | BAA34138 | D97396 | NSC 6383 | MFCD00152588 | AKOS015901669 | EINECS 203-356-7 | EINECS 215-675-9 | Isooctyl palmitate | ?Isooctyl palmitate | Hexadecanoic acid, isooctyl ester | 6-methy

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

508813743

Sorrisos canónicos

CCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C

IUPAC Name

6-methylheptyl hexadecanoate

InChIKey

CJSPFDQEYQBDNN-UHFFFAOYSA-N

INCHI

1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24(25)26-22-19-16-17-20-23(2)3/h23H,4-22H2,1-3H3

SMILES isoméricas

CCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C

WGK Alemanha

3

Peso molecular

368.6367

Reaxy-Rn

11335223

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11335223&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Propriedades químicas e físicas

• Peso molecular: 368.600 g/mol
• XLogP3: 10.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 21
• Exact Mass: 368.365 Da
• Monoisotopic Mass: 368.365 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 286.000
• 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