40200-18-8

Basic information

• Product Name: 6-chlorohexyl acetate
• Synonyms: Acetic acid 6-chlorohexyl ester
• CAS NO: 40200-18-8
• Molecular Formula: C₈H₁₅ClO₂
• Molecular Weight: 178.6565
• EINECS: 254-836-8
• Mol File: 40200-18-8.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 226.1°Cat760mmHg
• Flash Point: 95.9°C
• Appearance: /
• Density: 1.018g/cm³
• Vapor Pressure: 0.0832mmHg at 25°C
• Refractive Index: 1.434
• CAS DataBase Reference: 6-chlorohexyl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 6-chlorohexyl acetate(40200-18-8)
• EPA Substance Registry System: 6-chlorohexyl acetate(40200-18-8)

Safety Data

• Hazardous Substances Data: 40200-18-8(Hazardous Substances Data)

Usage

General Description

6-chlorohexyl acetate is a chemical compound with the molecular formula C8H15ClO2. It is a colorless liquid with a fruity odor, commonly used as a flavor and fragrance ingredient in various products. This chemical is synthesized through the reaction between acetic acid and 6-chlorohexanol, resulting in the formation of the acetate ester. 6-chlorohexyl acetate is often employed in the production of perfumes, soaps, and other beauty and personal care products due to its pleasant odor and ability to enhance the overall fragrance profile. Additionally, it serves as a useful intermediate for the synthesis of other organic compounds. However, it is important to handle this chemical with caution as it may cause irritation to the skin, eyes, and respiratory system if not properly managed.

InChI:InChI=1/C8H15ClO2/c1-8(10)11-7-5-3-2-4-6-9/h2-7H2,1H3

Upstream product

• 629-11-8 1,6-hexanediol 
• 75-36-5 acetyl chloride 
• 109-70-6 1.3-chlorobromopropane 
• 2009-83-8 6-chloro-1-hexanol 
• 108-24-7 acetic anhydride 
• 68750-24-3 6-acetoxyhexanol 
• 6222-17-9 1,6-diacetoxyhexane 
• 142-92-7 1-hexyl acetate 
• 75-05-8 acetonitrile 
• 1001-73-6 1-(tert-butoxy)-6-chlorohexane 
• 64-19-7 acetic acid 

Downstream Products

• 592-42-7 1,5-Hexadien 
• 928-89-2 6-chlorohexene 
• 77295-58-0 1-acetoxy-6-iodohexane 
• 7280-41-3 Acetic acid 6-[2-(2-methoxy-phenoxy)-ethylamino]-hexyl ester 

Relevant articles and documents

Photoredox/Nickel Dual Catalysis for the C(sp3)–C(sp3) Cross-Coupling of Alkylsilicates with Alkyl Halides

Alkylsilicates were engaged under photoredox/nickel dual catalysis conditions with alkyl halides for the first time. The C(sp3)–C(sp3) cross-coupling products were obtained in moderate yields and were accompanied by the homocoupling

A hydrogen chloride-free pinner reaction promoted by lewis acids

A hydrogen chloride-free variation of the Pinner reaction was developed, in which alcohols react with carbonitriles to furnish carboxylates. Best results were achieved with aliphatic alcohols, and aliphatic or benzylic nitriles in the presence of 2 equiv. of trimethylsilyl triflate (Me3SiOTf). With these substrates, yields exceeding 80% were achieved. A strictly neutral variation of this protocol is possible, when 1 equiv. of Et3N is added to the reaction mixture. Copyright

MECHANISMS OF FREE-RADICAL REACTIONS. XXIV. QUANTITATIVE DESCRIPTION OF THE POLAR EFFECTS OF SUBSTITUENTS ON THE KINETICS OF THE FREE-RADICAL CHLORINATION OF ALIPHATIC COMPOUNDS BY N-CHLOROPIPERIDINE

The free-radical chlorination of 1-substituted alkanes with electron-withdrawing substituents by N-chloropiperidine in trifluoroacetic acid was studied by the method of competing reactions, and the relative rate constants were obtained for all positions of the substrates.The data on the position selectivity can be described satisfactorily by means of an electrostatic model of the polar effect of the substituent, calculated according to the Kirkwood-Westheimer equation.The obtained characteristics of the electrostatic effect can be successfully applied to calculation of the substrate selectivity and the intermolecular relative rate constants for all the positions, beginning with the third.The Taft equation is unsuitable for description of the effect of substituents on the reaction rate.