52788-71-3

Basic information

• Product Name: ethyl 3-p-tolyloxirane-2-carboxylate
• Synonyms: ethyl 3-p-tolyloxirane-2-carboxylate;Oxiranecarboxylic acid, 3-(4-methylphenyl)-, ethyl ester;3-(4-methylphenyl)-oxiranecarboxylic acid ethyl ester;3-(4-Methylphenyl)-glycidic acid ethyl ester;ALDEHYDE C-20 FOOD GRADE KOSHER;ALDEHYDE C-20 FRAGRANCE GRADE;3-(4-Methylphenyl)oxirane-2-carboxylic acid ethyl ester;3-(p-Tolyl)oxirane-2-carboxylic acid ethyl ester
• CAS NO: 52788-71-3
• Molecular Formula: C₁₂H₁₄O₃
• Molecular Weight: 206.23776
• EINECS: 258-180-3
• Mol File: 52788-71-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 291.2°Cat760mmHg
• Flash Point: 117.7°C
• Appearance: /
• Density: 1.153g/cm³
• Vapor Pressure: 0.00198mmHg at 25°C
• Refractive Index: 1.534
• CAS DataBase Reference: ethyl 3-p-tolyloxirane-2-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 3-p-tolyloxirane-2-carboxylate(52788-71-3)
• EPA Substance Registry System: ethyl 3-p-tolyloxirane-2-carboxylate(52788-71-3)

Safety Data

• Hazardous Substances Data: 52788-71-3(Hazardous Substances Data)

Usage

Description

Ethyl 3-p-tolyloxirane-2-carboxylate is a chemical compound with a molecular formula of C13H14O3. It is a member of the carboxylate esters and is known for its ability to participate in a wide variety of chemical reactions, making it a versatile building block for organic synthesis.

Uses

Used in Pharmaceutical Industry:
Ethyl 3-p-tolyloxirane-2-carboxylate is used as an intermediate in the production of pharmaceuticals for its ability to participate in various chemical reactions, enabling the synthesis of a wide range of medicinal compounds.
Used in Agrochemical Industry:
Ethyl 3-p-tolyloxirane-2-carboxylate is used as an intermediate in the production of agrochemicals for its versatility in chemical reactions, allowing for the creation of various agricultural chemicals.
Safety Precautions:
Ethyl 3-p-tolyloxirane-2-carboxylate is typically handled and stored with care due to its potential flammability and harmful effects if ingested or inhaled. It is important to use proper safety precautions and handling procedures when working with this chemical.

InChI:InChI=1/C12H14O3/c1-3-14-12(13)11-10(15-11)9-6-4-8(2)5-7-9/h4-7,10-11H,3H2,1-2H3

Upstream product

• 104-87-0 4-methyl-benzaldehyde 
• 105-39-5 chloroacetic acid ethyl ester 
• 97585-04-1 ethyl (E)-3-(4-methylphenyl)acrylate 
• 74087-85-7 3,3-dimethyldioxirane 
• 25709-55-1 1-<(ethoxycarbonyl)methyl>tetrahydrothiophenium bromide 

Downstream Products

• 101719-09-9 2-anilino-3-hydroxy-3-p-tolyl-propionic acid ethyl ester 
• 104-09-6 4-methylphenylacetaldehyde 
• 99169-72-9 2-amino-3-hydroxy-3-p-tolyl-propionic acid amide 
• 30193-49-8 3-(2-Amino-phenylsulfanyl)-2-hydroxy-3-p-tolyl-propionic acid ethyl ester 
• 30302-03-5 3-(2-Amino-4-chloro-phenylsulfanyl)-2-hydroxy-3-p-tolyl-propionic acid ethyl ester 
• 30066-97-8 7-chloro-3-hydroxy-2-p-tolyl-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one 
• 27068-89-9 3-hydroxy-2-p-tolyl-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one 
• 30252-86-9 3-(2-amino-phenylsulfanyl)-2-hydroxy-3-p-tolyl-propionic acid 
• 30252-92-7 3-(2-amino-4-chloro-phenylsulfanyl)-2-hydroxy-3-p-tolyl-propionic acid 
• 1629011-28-4 (Z)-2-(4-methylbenzylidene)-2H-imidazo[1,2-a]pyridin-3-one 

Relevant articles and documents

Malodour reducing composition and uses thereof

The invention relates to a malodour reducing composition comprising: A) at least one phenylglycidate of formula (1): wherein: - R1 is a C1-C4 branched or linear alkyl group, - R2 is hydrogen or methyl, and - R3 is hydrogen, a C1-C4 branched or linear alkyl group or a methoxy group, and B) at least one 1,2 diketone of formula (2) or (3): wherein: - R4, R5 and R7 may be independently, a C1-C5 linear or branched alkyl or alkenyl group; - R6 is a (C1-C5) alkylidene; - R4 and R5 may also form a C4-C7 saturated or unsaturated alicyclic or heterocyclic ring structure, optionally substituted by (C1-C4) alkyl groups; - R6 and R7 may also form a C4-C7 unsaturated, alicyclic or heterocyclic ring structure optionally substituted by (C1-C4) alkyl groups; the weight ratio of glycidate A to 1,2 diketone B being from 1:99 to 99:1. The invention also relates to the fragrance compositions and consumer products containing this malodour reducing composition.

Dioxirane Chemistry. Part 15. Rate studies on Epoxidations by Dimethyldioxirane

The relative rates of epoxidation by dimethyldioxirane, (1), of a series of 4-substituted (E)-ethyl cinnamates have been studied.The data were treated with the Hammett linear free energy relationship and give ρ = - 1.53 indicating an electrophilic O-atom transfer.Second-order rate coefficients were determined for the epoxidation of (E)-ethyl cinnamate by (1) at several temperatures and the Arrhenius factors were determined, Ea = 14.1 kcal mol-1, log (A/s-1) = 7.41.