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

• 98-91-9 thiobenzoic acid 
• 111-87-5 octanol 
• 42100-74-3 ((octyloxy)methylene)dibenzene 
• 65-85-0 benzoic acid 
• 70690-19-6 2-octyloxy-tetrahydro-pyran 
• 93-97-0 benzoic acid anhydride 
• 93-89-0 benzoic acid ethyl ester 
• 201230-82-2 carbon monoxide 
• 62-38-4 phenylmercuric acetate 
• 3277-27-8 diethyl benzoylphosphonate 
• 936-51-6 2-phenyl-1,3-dioxolane 
• 592-41-6 1-hexene 
• 93-58-3 benzoic acid methyl ester 
• 1484-17-9 S-ethyl thiobenzoate 

Downstream Products

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

Relevant articles and documents

Photochemical Activation of Aromatic Aldehydes: Synthesis of Amides, Hydroxamic Acids and Esters

A cheap, facile and metal-free photochemical protocol for the activation of aromatic aldehydes has been developed. Utilizing thioxanthen-9-one as the photocatalyst and cheap household lamps as the light source, a variety of aromatic aldehydes have been activated and subsequently converted in a one-pot reaction into amides, hydroxamic acids and esters in good to high yields. The applicability of this method was highlighted in the synthesis of Moclobemide, a drug against depression and social anxiety. Extended and detailed mechanistic studies have been conducted, in order to determine a plausible mechanism for the reaction.

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.

Copper-mediated simple and direct aerobic oxidative esterification of arylacetonitriles with alcohols/phenols

A simple and direct aerobic oxidative esterification reaction of arylacetonitriles with alcohols/phenols is achieved in the presence of a copper salt and molecular oxygen, which produces a broad range of aryl carboxylic acid esters in good to high yields. Copper salt plays multiple roles in the transformation, which allows the oxygenation of C-H bond, cleavage of inert C-C bond, and formation of C-O bond in one pot without the assistance of any of the acids, bases, ligands, and so on. The reaction provides a simple, direct, and efficient protocol towards functionalized esters, especially aryl benzoates, from readily available starting materials.