Docosyl Acrylate - C22 ≥ 75% , CAS No.18299-85-9

CAS: 18299-85-9 Cat. No.: D579667 Fórmula: C₂₅H₄₈O₂ Peso molecular: 380.66 Número CE: 242-182-6

GRADE & PURITY C22 ≥ 75%

Synonyms

Docosyl acrylate|Behenyl acrylate|18299-85-9|docosyl prop-2-enoate|2-Propenoic acid, docosyl ester|Docosyl Acrylate (stabilized with MEHQ)|DTXSID2066359|Acrylic acid docosyl ester|Behenyl acrylate (C-22)|n-docosyl acrylate|EINECS 242-182-6|Behenyl acrylat

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Docosyl acrylate | Behenyl acrylate | 18299-85-9 | docosyl prop-2-enoate | 2-Propenoic acid, docosyl ester | Docosyl Acrylate (stabilized with MEHQ) | DTXSID2066359 | Acrylic acid docosyl ester | Behenyl acrylate (C-22) | n-docosyl acrylate | EINECS 242-182-6 | Behenyl acrylat

Especificações e pureza

C22 ≥ 75%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

Pubchem Sid

488186423

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186423

Sorrisos canónicos

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C

IUPAC Name

docosyl prop-2-enoate

InChIKey

KHAYCTOSKLIHEP-UHFFFAOYSA-N

INCHI

1S/C25H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-25(26)4-2/h4H,2-3,5-24H2,1H3

SMILES isoméricas

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C

Peso molecular

380.66

Reaxy-Rn

10604867

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10604867&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: Acrylic acid esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol ester - Acrylic acid ester - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate 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 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

• Solubilidade: Soluble in toluene
• Ponto de fusão (°C): 45-49°C
• Peso molecular: 380.600 g/mol
• XLogP3: 11.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 23
• Exact Mass: 380.365 Da
• Monoisotopic Mass: 380.365 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 311.000
• 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