7155-12-6

Basic information

• Product Name: Heptylbenzoate
• Synonyms: Benzoic acid heptyl ester;Ai3-06027;Einecs 230-511-6
• CAS NO: 7155-12-6
• Molecular Formula: C₁₄H₂₀O₂
• Molecular Weight: 220.3074
• EINECS: 230-511-6
• Mol File: 7155-12-6.mol
• Article Data: 20

Chemical Properties

• Boiling Point: 303.9°Cat760mmHg
• Flash Point: 128.1°C
• Appearance: /
• Density: 0.973g/cm³
• Vapor Pressure: 0.000901mmHg at 25°C
• Refractive Index: 1.493
• CAS DataBase Reference: Heptylbenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Heptylbenzoate(7155-12-6)
• EPA Substance Registry System: Heptylbenzoate(7155-12-6)

Safety Data

• Hazardous Substances Data: 7155-12-6(Hazardous Substances Data)

Usage

Description

Heptylbenzoate, also known as heptyl benzoate, is a chemical compound that consists of a seven-carbon alkyl group (heptyl) and an ester of benzoic acid (benzoate). It is characterized by its light, pleasant odor and is recognized for its versatility in various industries.

Uses

Used in Fragrance Industry:
Heptylbenzoate is used as a fragrance ingredient for its ability to impart a fruity or floral scent to products, enhancing the sensory experience for consumers.
Used in Food Industry:
In the food industry, heptylbenzoate serves as a flavoring agent, adding unique taste profiles to various food products, thereby improving their overall appeal.
Used in Cosmetics and Personal Care Products:
Heptylbenzoate is used as a solvent in the production of cosmetics and personal care products, aiding in the formulation and stability of these products while also contributing to their scent.
Used in Household Cleaners:
In the household cleaning products industry, heptylbenzoate functions as a solvent, helping to dissolve other ingredients and improve the cleaning efficacy of the products.
Used in Paints and Coatings:
Heptylbenzoate is utilized in paints and coatings as a solvent, contributing to the application process and the final product's performance characteristics.
Used in Pharmaceutical Formulations:
In the pharmaceutical sector, heptylbenzoate is employed as a solvent in various formulations, assisting in the preparation and delivery of medications.
Overall, heptylbenzoate is a multifaceted chemical compound with applications spanning across fragrances, food, cosmetics, household products, industrial coatings, and pharmaceuticals, primarily due to its solvent properties and its ability to enhance the scent and flavor profiles of products.

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

Upstream product

• 111-70-6 n-heptan1ol 
• 93-89-0 benzoic acid ethyl ester 
• 629-04-9 1-Bromoheptane 
• 65-85-0 benzoic acid 
• 93-97-0 benzoic acid anhydride 
• 18132-93-9 heptanol trimethylsilyl ether 
• 132336-04-0 2-(heptyloxy)tetrahydro-2H-pyran 
• 98-88-4 benzoyl chloride 
• 100-52-7 benzaldehyde 
• 629-64-1 diheptyl ether 
• 100-51-6 benzyl alcohol 
• 55-21-0 benzamide 
• 100-53-8 phenylmethanethiol 
• 96-09-3 styrene oxide 

Relevant articles and documents

Mechanistic elucidation of monoalkyltin(iv)-catalyzed esterification

Monoalkyltin(iv) complexes are well-known catalysts for esterification reactions and polyester formation, yet the mode of operation of these Lewis acidic complexes is still unknown. Here, we report on mechanistic studies ofn-butylstannoic acid in stoichiometric and catalytic reactions, analyzed by NMR, IR and MS techniques. While the chemistry ofn-butyltin(iv) carboxylates is dominated by formation of multinuclear tin assemblies, we found that under catalytically relevant conditions only monomericn-BuSn(OAc)3and dimeric (n-BuSnOAc2OEt)2are present. Density functional theory (DFT) calculations provide support for a mononuclear mechanism, wheren-BuSn(OAc)3and dimeric (n-BuSnOAc2OEt)2are regarded as off-cycle species, and suggest that carbon-oxygen bond breaking is the rate-determining step.

Electrochemical esterification via oxidative coupling of aldehydes and alcohols

An electrolytic method for the direct oxidative coupling of aldehydes with alcohols to produce esters is described. Our method involves anodic oxidation in presence of TBAF as supporting electrolyte in an undivided electrochemical cell equipped with graphite electrodes. This method successfully couples a wide range of alcohols to benzaldehydes with yields ranging from 70 to 90%. The protocol is easy to perform at a constant voltage conditions and offers a sustainable alternative over conventional methods.

Ferric(III) Chloride Catalyzed Halogenation Reaction of Alcohols and Carboxylic Acids Using α,α-Dichlorodiphenylmethane

A new method for chlorination of alcohols and carboxylic acids, using α,α-dichlorodiphenylmethane as the chlorinating agent and FeCl3 as the catalyst, was developed. The method enables conversions of various alcohols and carboxylic acids to their corresponding alkyl and acyl chlorides in high yields under mild conditions. Particulary interesting is the observation that the respective alkyl bromides and iodides can be generated from alcohols when either LiBr or LiI are present in the reaction mixtures.