81008-52-8

Basic information

• Product Name: 6-Ethylthio-3-hepten-2-one
• Synonyms: 6-Ethylthio-3-hepten-2-one
• CAS NO: 81008-52-8
• Molecular Formula: C₉H₁₆OS
• Molecular Weight: 172.29
• Mol File: 81008-52-8.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 256.4 °C at 760 mmHg
• Flash Point: 110.4 °C
• Appearance: /
• Density: 0.945 g/cm³
• Vapor Pressure: 0.0154mmHg at 25°C
• Refractive Index: 1.48
• CAS DataBase Reference: 6-Ethylthio-3-hepten-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 6-Ethylthio-3-hepten-2-one(81008-52-8)
• EPA Substance Registry System: 6-Ethylthio-3-hepten-2-one(81008-52-8)

Safety Data

• Hazardous Substances Data: 81008-52-8(Hazardous Substances Data)

Usage

General Description

6-Ethylthio-3-hepten-2-one, also known as 6-ethylthio-3-hepten-2-one, is an organic compound classified as a thiol ketone. It is commonly used in the fragrance and flavor industry due to its strong and fruity odor, which is reminiscent of blackcurrants. This chemical is often used to impart a distinct and appealing aroma to a variety of products, including perfumes, colognes, and food flavorings. Additionally, 6-Ethylthio-3-hepten-2-one has shown potential antimicrobial properties and is also used as an intermediate in the synthesis of other organic compounds. However, it is important to handle this substance with caution, as it can cause irritation to the skin, eyes, and respiratory system.

InChI:InChI=1/C9H16OS/c1-4-11-9(3)7-5-6-8(2)10/h5-6,9H,4,7H2,1-3H3

Upstream product

• 1439-36-7 1-triphenylphosphoranylidene-2-propanone 
• 27205-24-9 β-(ethylthio)butyraldehyde 
• 3916-64-1 hepta-3,5-dien-2-one 
• 75-08-1 ethanethiol 
• 623-58-5 sodium aceto-acetate 
• 67-64-1 acetone 

Downstream Products

• 111031-74-4 (±)-2-[propionyl]-3-[hydroxy]-5-[2-(ethylthio)propyl]cyclohex-2-enone 
• 99129-21-2 clethodim 
• 364339-22-0 C₁₃H₂₀O₄S 
• 1067606-17-0 2-(2,6-diethyl-4-methylphenyl)-5-[2-(ethylsulfonyl)propyl]cyclohexane-1,3-dione 
• 1067600-27-4 2-(2,6-diethyl-4-methylphenyl)-5-[2-(ethylsulfinyl)propyl]-cyclohexane-1,3-dione 
• 1067594-01-7 2-(2,6-diethyl-4-methylphenyl)-5-[2-(ethylthio)propyl]cyclohexane-1,3-dione 
• 87476-15-1 5-[2-(ethylthio)-propyl]-1,3-cyclohexanedione 

Relevant articles and documents

Synthesis method of 6-ethylthio-3-hepten-2-one

The invention discloses a synthesis method of 6-ethylthio-3-hepten-2-one, which comprises the following steps: taking acetone and 3-ethylthiobutyraldehyde as raw materials, and carrying out one-step reaction in the presence of a catalyst to obtain the 6-ethylthio-3-hepten-2-one, wherein the catalyst is a nitrogen-containing alkali catalyst. The target product can be obtained through one-pot one-step reaction, operation is simple, the catalyst can be recycled, other byproducts cannot be generated, and the method is environmentally friendly, low in cost and high in economic value and is an ideal route.

Method for synthesizing cyclohexenone herbicide key intermediate

The invention provides a method for synthesizing a cyclohexenone herbicide key intermediate which is 6-ethylsuleenyl-3-heptylene-2-ketone. The method for preparing 6-ethylsuleenyl-3-heptylene-2-ketone comprises the following steps: (1) carrying out aldol condensation via crotonaldehyde and acetone under catalysis of alkali to synthesize a compound which is 3,5-heptadiene-2-ketone of formula (I), wherein the reaction route is expressed as a formula which is as shown in the description; and (2) carrying out nucleophilic addition via 3,5-heptadiene-2-ketone and ethanethiol to prepare the cyclohexenone herbicide key intermediate which is 6-ethylsuleenyl-3-heptylene-2-ketone, wherein the reaction route is expressed as a formula which is as shown in the description. The 6-ethylsuleenyl-3-heptylene-2-ketone prepared by the method is high in yield and high in purity; the method is simple in process, cheap and easily available in raw materials, low in production cost and low in environment pollution, and is suitable for large-scale production.

NOVEL HERBICIDES

Cyclohexanedione compounds, and derivatives thereof, which are substituted in 5-position, are suitable for use as herbicides.