26805-39-0

Basic information

• Product Name: ethyl 3-(acetoxy)isocrotonate
• Synonyms: ethyl 3-(acetoxy)isocrotonate;(Z)-3-(Acetyloxy)-2-butenoic acid ethyl ester;3-(Acetyloxy)crotonic acid ethyl ester;3-Acetoxycrotonic acid ethyl ester;2-Butenoic acid, 3-(acetyloxy)-, ethyl ester, (Z)-;Einecs 248-011-1
• CAS NO: 26805-39-0
• Molecular Formula: C₈H₁₂O₄
• Molecular Weight: 172.17848
• EINECS: 248-011-1
• Mol File: 26805-39-0.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 215.4°Cat760mmHg
• Flash Point: 98.6°C
• Appearance: /
• Density: 1.069g/cm³
• Vapor Pressure: 0.148mmHg at 25°C
• Refractive Index: 1.441
• CAS DataBase Reference: ethyl 3-(acetoxy)isocrotonate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 3-(acetoxy)isocrotonate(26805-39-0)
• EPA Substance Registry System: ethyl 3-(acetoxy)isocrotonate(26805-39-0)

Safety Data

• Hazardous Substances Data: 26805-39-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H12O4/c1-4-11-8(10)5-6(2)12-7(3)9/h5H,4H2,1-3H3/b6-5+

Upstream product

• 141-97-9 ethyl acetoacetate 
• 75-36-5 acetyl chloride 
• 2678-54-8 ketene diethyl acetal 
• 108-22-5 Isopropenyl acetate 

Downstream Products

• 141-97-9 ethyl acetoacetate 
• 141-78-6 ethyl acetate 
• 123-54-6 acetylacetone 
• 638-10-8 ethyl 3-methylbut-2-enoate 
• 506-96-7 Acetyl bromide 

Relevant articles and documents

Stereochemical Imperative in Enzymic Decarboxylations. Stereochemical Course of the Decarboxylation Catalyzed by Acetoacetate Decarboxylase

The stereochemical course of the decarboxylation of acetoacetate catalyzed by the enzyme acetoacetate decarboxylase (AAD) has been studied by using samples of optically active 2-tritioacetoacetate, prepared by enzymatic oxidation of samples of enantiomeric pairs of diastereomeric 2-tritio-3-hydroxybutyrates.A correlation is proposed conneting the stereochemical course of enzymatic decarboxylation (retention or inversion) with the structure of the substrate.Acetoacetate decarboxylase was found to catalyze decarboxylation with net racemization.