42175-41-7

Basic information

• Product Name: benzyl decanoate
• Synonyms: benzyl decanoate;Capric acid benzyl ester;Decanoic acid benzyl ester;Benzyl caprate;Decanoic acid phenylmethyl ester
• CAS NO: 42175-41-7
• Molecular Formula: C₁₇H₂₆O₂
• Molecular Weight: 262.38714
• EINECS: 255-696-0
• Mol File: 42175-41-7.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 345℃
• Flash Point: 110℃
• Appearance: /
• Density: 0.956
• Vapor Pressure: 6.46E-05mmHg at 25°C
• Refractive Index: 1.489
• CAS DataBase Reference: benzyl decanoate(CAS DataBase Reference)
• NIST Chemistry Reference: benzyl decanoate(42175-41-7)
• EPA Substance Registry System: benzyl decanoate(42175-41-7)

Safety Data

• Hazardous Substances Data: 42175-41-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C17H26O2/c1-2-3-4-5-6-7-11-14-17(18)19-15-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3

Upstream product

• 103-83-3 N,N'-dimethylbenzylamine 
• 100-51-6 benzyl alcohol 
• 334-48-5 1-decanoic acid 
• 112-13-0 n-decanoyl chloride 
• 334-47-4 decanoyl fluoride 
• 112-31-2 caprinaldehyde 
• 110-42-9 Methyl decanoate 

Downstream Products

• 334-48-5 1-decanoic acid 
• 5489-72-5 Tris(2,4-dibromophenyl)amine 
• 100-52-7 benzaldehyde 

Relevant articles and documents

Iodobenzene Dichloride in the Esterification and Amidation of Carboxylic Acids: In-Situ Synthesis of Ph3PCl2

A novel, in-situ synthesis of dichlorotriphenylphosphorane (Ph3PCl2) is accomplished upon combining PPh3and the easily prepared hypervalent iodine reagent iodobenzene dichloride (PhICl2). The phosphorane is selectively generated in the presence of carboxylic acid or alcohol residues to rapidly produce acyl chlorides and alkyl chlorides in high yields. Addition of EtOH, PhOH, BnOH, Et2NH or CH2N2results in the direct synthesis of esters, amides and diazo ketones from carboxylic acids.

Organocatalytic oxidation of aldehydes to mixed anhydrides

TEMPO catalyzes the direct oxidation of aldehydes to mixed anhydrides in the presence of a carboxylic acid. The anhydrides can be converted in situ to esters, secondary, tertiary or Weinreb amides in high yield. Oxidation of the aldehyde directly to 2-propyl esters is also possible using only catalytic amounts of acid. The oxidation reactions are rapid and take place under mild conditions.

Synthesis, antimicrobial evaluation, QSAR and in silico ADMET studies of decanoic acid derivatives

Various derivatives of decanoic acid (CD) have been synthesized and evaluated against Gram positive B. subtilis, S. aureus and Gram negative E. coli bacteria as well as against fungi C. albicans and A. niger. Quantitative structure activity relationship (QSAR) models for antimicrobial activities were developed using multiple linear regression and cross validated by leave one out (LOO) approach. QSAR studies indicated that activity against Gram positive bacteria was governed by lipophilicity of the compounds while topological steric nature of the molecule was deciding factor for antifungal activity. Further, in silico ADMET studies showed that compounds CD12, 19, 20 and 23 could be explored further for other activities.