Hexadecyl Lactate - ≥75%(GC) , CAS No.35274-05-6

CAS: 35274-05-6 Cat. No.: H156857 Fórmula: C₁₉H₃₈O₃ Peso molecular: 314.51 Beilstein Registry Number: 3(4)660 Número CE: 252-478-7

GRADE & PURITY ≥75%(GC)

Synonyms

LACTIC ACID, HEXADECYL ESTER | 2-Hydroxypropionic acid hexadecyl ester | AEC CETYL LACTATE | hexadecyl 2-hydroxypropanoate | UNIESTER LC | CETINOL LA | hexadecyl lactate, AldrichCPR | n-Hexadecyl lactate | Propanoic acid, 2-hydroxy-, hexadecyl ester | EIN

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

LACTIC ACID, HEXADECYL ESTER | 2-Hydroxypropionic acid hexadecyl ester | AEC CETYL LACTATE | hexadecyl 2-hydroxypropanoate | UNIESTER LC | CETINOL LA | hexadecyl lactate, AldrichCPR | n-Hexadecyl lactate | Propanoic acid, 2-hydroxy-, hexadecyl ester | EIN

Especificações e pureza

≥75%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥75%(GC)

Nomes e identificadores

Pubchem Sid

488183285

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183285

Sorrisos canónicos

CCCCCCCCCCCCCCCCOC(=O)C(C)O

IUPAC Name

hexadecyl 2-hydroxypropanoate

InChIKey

WUKXMJCZWYUIRZ-UHFFFAOYSA-N

INCHI

1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19(21)18(2)20/h18,20H,3-17H2,1-2H3

SMILES isoméricas

CCCCCCCCCCCCCCCCOC(=O)C(C)O

Peso molecular

314.51

Beilstein

3(4)660

Reaxy-Rn

1791089

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1791089&ln=

Taxonomic Classification

Taxonomy Tree

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

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

• Ponto de fusão (°C): 42 °C
• Peso molecular: 314.500 g/mol
• XLogP3: 7.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 314.282 Da
• Monoisotopic Mass: 314.282 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 241.000
• 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