577-66-2

Basic information

• Product Name: 8-ETHOXYCAFFEINE
• Synonyms: 8-ethoxy-caffein;3,7-Dihydro-8-ethoxy-1,3,7-trimethyl-1H-purine-2,6-dione;8-Ethoxy-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione;EOC;8-ethoxy-1,3,7-trimethyl-purine-2,6-dione;8-ethoxy-1,3,7-trimethylpurine-2,6-dione;8-ethoxy-1,3,7-trimethyl-xanthine;8-ETHOXYCAFFEINE
• CAS NO: 577-66-2
• Molecular Formula: C₁₀H₁₄N₄O₃
• Molecular Weight: 238.24
• Product Categories: Heterocycles series
• Mol File: 577-66-2.mol
• Article Data: 2

Chemical Properties

• Melting Point: 143°C
• Boiling Point: 380.84°C (rough estimate)
• Flash Point: 197.2°C
• Appearance: /
• Density: 1.2560 (rough estimate)
• Vapor Pressure: 1.09E-06mmHg at 25°C
• Refractive Index: 1.6500 (estimate)
• Water Solubility: 2.991g/L(19 oC)
• CAS DataBase Reference: 8-ETHOXYCAFFEINE(CAS DataBase Reference)
• NIST Chemistry Reference: 8-ETHOXYCAFFEINE(577-66-2)
• EPA Substance Registry System: 8-ETHOXYCAFFEINE(577-66-2)

Safety Data

• Hazardous Substances Data: 577-66-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H14N4O3/c1-5-17-9-11-7-6(12(9)2)8(15)14(4)10(16)13(7)3/h5H2,1-4H3

Upstream product

• 2099-73-2 8-nitrotheophylline 
• 58-08-2 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione 
• 58-55-9 theophylline 
• 75-03-6 ethyl iodide 
• 64-17-5 ethanol 
• 42297-40-5 1,3,7-trimethyl-2,6-dioxo-8-nitro-1H,3H,7H-xanthine 
• 4921-49-7 8-chlorocaffeine 

Downstream Products

• 6287-59-8 9-Ethyl-1,3,7-trimethyl-harnsaeure 
• 75-00-3 chloroethane 
• 5415-44-1 1,3,7-trimethyluric acid 
• 99765-15-8 8-Ethoxy-3,4,5,7-tetrahydro-1,3,7-trimethyl-syn-10,anti-11-diphenyl-4,5-ethano-1H-purin-2,6-dion 

Relevant articles and documents

Photosensitized Oxidation of Oxopurines by Rose Bengal

Photosensitized oxidations of oxopurines (OP) as caffeine, theophylline, theobromine and 1,3,7-trimethyluric acid (TMU) by Rose Bengal were investigated. In all cases photooxidations occur by a type II mechanism. Reactive and nonreactive 1O2 quenching rate constants by OP were determined in different solvents. Based on the correlations of the rate constants with different solvent parameters (α, β, ET[30], AN, DN, π*, ∈), the initial formation of an exciplex between 1O2 and OP is proposed that evolves to a zwitterionic transition state. Some reaction products were characterized, among them 3-methyl-5-(methylamine)-1,5-dehydrohydantoin was obtained as the main photooxidation product of TMU. A reaction mechanism is proposed for the formation of this and other reaction products.