94-50-8

Basic information

• Product Name: octyl benzoate
• Synonyms: octyl benzoate;Benzoic acid, octyl ester;Octyl alcohol, benzoate;n-Octyl benzoate;1-Octyl Benzoate;Benzoic acid 1-Octanyl Ester;Dena PF 681;NSC 21846
• CAS NO: 94-50-8
• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.33398
• EINECS: 202-339-1
• Product Categories: Aromatics
• Mol File: 94-50-8.mol
• Article Data: 138

Chemical Properties

• Boiling Point: 320.7 °C at 760 mmHg
• Flash Point: 135.2 °C
• Appearance: /
• Density: 0.964 g/cm³
• Vapor Pressure: 0.000312mmHg at 25°C
• Refractive Index: 1.491
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: octyl benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: octyl benzoate(94-50-8)
• EPA Substance Registry System: octyl benzoate(94-50-8)

Safety Data

• Hazardous Substances Data: 94-50-8(Hazardous Substances Data)

Usage

Uses

Octyl Benzoate is used as a fragrance agent.

Synthesis Reference(s)

Canadian Journal of Chemistry, 71, p. 90, 1993 DOI: 10.1139/v93-013Tetrahedron Letters, 27, p. 15, 1986 DOI: 10.1016/S0040-4039(00)83927-1

InChI:InChI=1/C15H22O2/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3

Upstream product

• 111-87-5 octanol 
• 98-88-4 benzoyl chloride 
• 70737-75-6 2-octyloxy-2-phenyl-benzo[1,3]oxathiole 
• 936-51-6 2-phenyl-1,3-dioxolane 
• 592-41-6 1-hexene 
• 42100-74-3 ((octyloxy)methylene)dibenzene 
• 65-85-0 benzoic acid 
• 93-97-0 benzoic acid anhydride 
• 2902-69-4 2,2,2-trichloroacetophenone 
• 55-21-0 benzamide 
• 120-51-4 benzoic acid benzyl ester 
• 98-85-1 1-Phenylethanol 
• 100-52-7 benzaldehyde 
• 111-65-9 octane 

Downstream Products

• 111-87-5 octanol 
• 404947-48-4 (4-allylhepta-1,6-dien-4-yl) benzene 
• 65-85-0 benzoic acid 

Relevant articles and documents

LiHMDS: Facile, highly efficient and metal-free transesterification under solvent-free condition

Transesterification is one of the important organic reactions employed in numerous industrial as well as laboratory applications for the synthesis of various esters. Herein, we report a rapid, highly efficient, and transition metal-free transesterification reaction in the presence of LiHMDS under solvent-free conditions. The transesterification reaction was carried out with three different benzoate esters and a wide range of primary and secondary alcohols (from C3-C18) in good to excellent yields (45 examples). By considering the commercial role of esters, this method will be promising for the facile synthesis of esters in industry-relevant applications.

Method for preparing carboxylic ester compounds by oxidizing and breaking carbon-carbon bonds of secondary alcohol compounds

The invention discloses a method for preparing carboxylic ester compounds by oxidizing and breaking carbon-carbon bonds of secondary alcohol compounds. The method comprises the following steps: adding a secondary alcohol compound, an additive and a nitrogen-doped mesoporous carbon loaded monatomic catalyst into a fatty primary alcohol solvent, putting into a pressure container, sealing, introducing oxygen source gas with a certain pressure, controlling the pressure of the oxygen source gas to be 0.1-1 MPa and the reaction temperature to be 80-150 DEG C, and obtaining a product after the reaction to be the carboxylic ester compound. The nitrogen-doped mesoporous carbon-loaded monatomic catalyst adopted by the invention is high in activity, the highest separation yield of the carboxylic ester compound as a reaction product reaches 99%, the method is wide in application range, the reaction conditions are easy to control, the catalyst can be recycled, the post-treatment is simple, and the method is suitable for industrial production.

Zr-MOF-808 as Catalyst for Amide Esterification

In this work, zirconium-based metal–organic framework Zr-MOF-808-P has been found to be an efficient and versatile catalyst for amide esterification. Comparing with previously reported homogeneous and heterogeneous catalysts, Zr-MOF-808-P can promote the reaction for a wide range of primary, secondary and tertiary amides with n-butanol as nucleophilic agent. Different alcohols have been employed in amide esterification with quantitative yields. Moreover, the catalyst acts as a heterogeneous catalyst and could be reused for at least five consecutive cycles. The amide esterification mechanism has been studied on the Zr-MOF-808 at molecular level by in situ FTIR spectroscopic technique and kinetic study.