64878-05-3

Basic information

• Product Name: ETHYL 2-[(2-OXOPROPYL)THIO]ACETATE
• Synonyms: ETHYL 2-[(2-OXOPROPYL)THIO]ACETATE;ETHYL (ACETONYLTHIO)ACETATE;Ethyl [(2-oxopropyl)thio]acetate
• CAS NO: 64878-05-3
• Molecular Formula: C₇H₁₂O₃S
• Molecular Weight: 176.23
• Mol File: 64878-05-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 100 °C
• Flash Point: 100.1°C
• Appearance: /
• Density: 1.11g/cm³
• Vapor Pressure: 0.0492mmHg at 25°C
• Refractive Index: 1.47
• CAS DataBase Reference: ETHYL 2-[(2-OXOPROPYL)THIO]ACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2-[(2-OXOPROPYL)THIO]ACETATE(64878-05-3)
• EPA Substance Registry System: ETHYL 2-[(2-OXOPROPYL)THIO]ACETATE(64878-05-3)

Safety Data

• Hazardous Substances Data: 64878-05-3(Hazardous Substances Data)

Usage

General Description

Ethyl 2-[(2-oxopropyl)thio]acetate is a chemical compound with the molecular formula C7H12O3S. It is a colorless liquid with a pungent odor, commonly used as a flavoring agent and fragrance ingredient. It is also used in the production of pharmaceuticals and as a solvent in organic synthesis. Ethyl 2-[(2-oxopropyl)thio]acetate is known for its fruity, pineapple-like scent and is often used in perfumes and food products. It is important to handle this chemical with care, as it can be flammable and harmful if swallowed, inhaled, or absorbed through the skin.

InChI:InChI=1/C7H12O3S/c1-3-10-7(9)5-11-4-6(2)8/h3-5H2,1-2H3

Upstream product

• 78-95-5 chloroacetone 
• 623-51-8 ethyl 2-sulfanylacetate 
• 64-17-5 ethanol 
• 33691-97-3 2-((2-oxopropyl)thio)acetic acid 
• 598-31-2 1-bromoacetone 

Downstream Products

• 1450609-07-0 (3aS,3bR,4R,7aS,8aS)-6,6-dioxidooctahydro-2H-furo-[2,3-b]-thiopyrano[4,3-d]furan-4-yl ((2S,3R)-3-hydroxy-4-(N-isobutyl-4-methoxyphenylsulfonamido)-1-phenylbutan-2-yl)carbamate 
• 1450609-08-1 (3aS,3bS,4S,7aR,8aR)-6,6-dioxidooctahydro-2H-furo-[2,3-b]-thiopyrano[4,3-d]furan-4-yl ((2S,3R)-3-hydroxy-4-(N-isobutyl-4-methoxyphenylsulfonamido)-1-phenylbutan-2-yl)carbamate 
• 6881-49-8 tetrahydrothiopyran-3,5-dione 
• 93896-38-9 (1-Ethoxycarbonylmethylmercapto-aceton)-3-methoxy-phenylhydrazon 
• 93428-78-5 (1-Ethoxycarbonylmethylmercapto-aceton)-phenylhydrazon 

Relevant articles and documents

A tandem multi-component synthesis of 5,7-diaryl-5,6,7,8-tetrahydro-1H-pyrido[3,4-b][1,4]thiazin-2(3H)-ones

The five-component reaction of ethyl 2-[(2-oxopropyl)sulfanyl]acetate, aromatic aldehydes, and ammonium acetate affords two diastereomers of 5,7-diaryl-5,6,7,8-tetrahydro-1H-pyrido[3,4-b][1,4]thiazin-2(3H)-ones via a novel tandem Mannich-enamine-substitut

Reaction of Acetone with Ethyl Mercaptoacetate.

Acetone reacts with ethyl mercaptoacetate in the presence of an acid catalyst to give a range of by-products, of which fourteen have been identified, in addition to the expected thioacetal (1).Acetone undergoes self-condensation under the conditions of the reaction.The α,β-unsaturated products undergo conjugate addition of ethyl mercaptoacetate, to give the appropriate ketosulphides ; the thioacetal (5) from the mesityl oxide adduct was also formed.The cyclic hemithioacetal (7) from acetone and ethyl mercaptoacetate was isolated.There is evidence that the thioacetal (1) undergoes thermal decomposition, to give the isopropenyl sulphide (9).It is believed that the monosulphoxide (11) of the thioacetal (1) is formed during the thioacetalisation reaction, and that this then undergoes Pummerer cleavage, to give products (10) and (12).The formation of the cyclic hemithioacetal (13) may be rationalised in terms of a co-oxidation reaction between ethyl mercaptoacetate and the isopropenyl sulphide (9).