5457-78-3

Basic information

• Product Name: phenyl octanoate
• Synonyms: octanoic acid, phenyl ester; Phenyl octanoate
• CAS NO: 5457-78-3
• Molecular Formula: C₁₄H₂₀O₂
• Molecular Weight: 220.31
• Mol File: 5457-78-3.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 302.5°Cat760mmHg
• Flash Point: 108.6°C
• Appearance: /
• Density: 0.974g/cm³
• Vapor Pressure: 0.000984mmHg at 25°C
• Refractive Index: 1.49
• CAS DataBase Reference: phenyl octanoate(CAS DataBase Reference)
• NIST Chemistry Reference: phenyl octanoate(5457-78-3)
• EPA Substance Registry System: phenyl octanoate(5457-78-3)

Safety Data

• Hazardous Substances Data: 5457-78-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C14H20O2/c1-2-3-4-5-9-12-14(15)16-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3

Upstream product

• 111-64-8 n-octanoic acid chloride 
• 108-95-2 phenol 
• 124-07-2 Octanoic acid 
• 100-66-3 methoxybenzene 
• 111-87-5 octanol 
• 124-13-0 Octanal 
• 106-32-1 octanoic acid ethyl ester 

Downstream Products

• 102946-00-9 1-(4-octanoyloxy-phenyl)-octan-1-one 
• 124-07-2 Octanoic acid 
• 108-95-2 phenol 
• 2589-73-3 1-(4-hydroxyphenyl)octanone 
• 1089700-47-9 C₁₄H₂₂N₂O 
• 13222-43-0 bis(2-hydroxy-5-n-octylphenyl)methane 
• 70659-87-9 N-benzyloctanoic amide 
• 73318-92-0 2-hydroxy-5-octylbenzaldehyde 
• 1806-26-4 p-Octylphenol 

Relevant articles and documents

Visible-Light-Driven Dehydrogenative Coupling of Primary Alcohols with Phenols Forming Aryl Carboxylates

A preparative method for obtaining aryl esters from aliphatic primary alcohols and phenols was developed. The reaction proceeds under the irradiation of visible light at ambient temperature, dispensing with any oxidant or hydrogen acceptor. Primary alcohols having a variety of functional groups are successfully esterified with phenols. The produced esters can be utilized as the precursor of various carbonyl compounds.

Friedel-Crafts acylation of anisole with octanoic acid over acid modified zeolites

Friedel-Crafts acylation of anisole using octanoic acid as a green acylating agent was studied over zeolites free of solvent. It was found that a mixed organic acid, composed of tartaric acid and oxalic acid, modified Hβ (Mix-Hβ) zeolite showed the best catalytic performance among the catalysts studied. The conversion of octanoic acid and the selectivity for p-octanoyl anisole were 72.7% and 82.5%, respectively. Inductively coupled plasma analysis (ICP) and 27Al MAS NMR indicated dealumination of the parent Hβ zeolite due to the treatment of the mixed organic acid, leading to more accessible active sites and accounting for the better catalytic activity of the Mix-Hβ zeolite. Furthermore, lower strength of Lewis acid sites and Broensted acid sites of the Mix-Hβ zeolite, as demonstrated by Fourier Transform Infrared Spectrometry after adsorption of pyridine (Py-IR), are advantageous to suppress the demethylation of anisole and the subsequent esterification of thus formed phenol, accounting for its higher selectivity toward p-octanoyl anisole.

Synthesis and critical micelle concentration of a series of gemini alkylphenol polyoxyethylene nonionic surfactants

A series of gemini n-alkylphenol polyoxyethylene surfactants (GAP) were successfully synthesized and their molecular structure were confirmed by NMR and FTIR spectrum. Using the same synthesis route, a Gemini nonylphenol polyoxyethylene surfactant (GNP) was synthesized using an industrial nonylphenol product and paraformaldehyde, and its molecular structure was also characterized by 1H-NMR and FTIR spectra. The optimal reaction conditions were established. The critical micelle concentration (CMC) values of GAP were determined by means of Wilhelmy plate method and steady-state fluorescence probe method. The experimental results show how the lengths of the hydrophilic polyoxyethylene chain and the hydrophobic tail alter the CMC values. The CMC values of the GAP are found to be much lower than those of corresponding conventional single tail nonionic surfactants of the polyethoxylated alkylphenol type, which indicates that the gemini species exhibit a better surface activity. AOCS 2011.