1H-Purine-2,6-dione,8-ethoxy-3,7-dihydro-1,3,7-trimethyl-

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Names

[ CAS No. ]:
577-66-2

[ Name ]:
1H-Purine-2,6-dione,8-ethoxy-3,7-dihydro-1,3,7-trimethyl-

[Synonym ]:
8-Aethoxy-1,3,7-trimethyl-3,7-dihydro-purin-2,6-dion
8-Aethoxy-caffein
8-ethoxy-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-Ethoxy-3,7-dihydro-1,3,7-trimethyl-1H-purin-2,6-dion
8-ethoxy-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione
8-Ethoxy-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
CAFFEINE,8-ETHOXY
8-ethoxy-1,3,7-trimethylxanthine
8-Ethoxycaffeine
EOC

Chemical & Physical Properties

[ Density]:
1.39g/cm3

[ Boiling Point ]:
402.5ºC at 760mmHg

[ Molecular Formula ]:
C10H14N4O3

[ Molecular Weight ]:
238.24300

[ Flash Point ]:
197.2ºC

[ Exact Mass ]:
238.10700

[ PSA ]:
71.05000

[ Index of Refraction ]:
1.628

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EV6510000
CHEMICAL NAME :
Caffeine, 8-ethoxy-
CAS REGISTRY NUMBER :
577-66-2
BEILSTEIN REFERENCE NO. :
0384859
LAST UPDATED :
199612
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C10-H14-N4-O3
MOLECULAR WEIGHT :
238.28
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ B1 CO2 F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Heritable translocation test

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - hamster Cells - not otherwise specified
DOSE/DURATION :
12 mmol/L/2H (Continuous)
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 12,463,1971

Precursor & DownStream

Precursor

  • Ethanol
  • 1,3,7-trimethyl-8-nitro-purine-2,6-dione
  • Theophylline
  • 1,3-Dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione
  • Caffeine
  • 1H-Purine-2,6-dione,8-chloro-3,7-dihydro-1,3,7-trimethyl-
  • Ethyl iodide

DownStream

  • monochloroethane
  • 1,3,7-Trimethyluric acid
  • Uric acid, 9-ethyl-1,3,7-trimethyl- (8CI)

Related Compounds

  • 4-hydroxy-N-(5-oxo-1-(p-tolyl)pyrrolidin-3-yl)piperidine-1-carboxamide
  • N-(4-(N-(4-((6-(3,4,5-trimethyl-1H-pyrazol-1-yl)pyridazin-3-yl)amino)phenyl)sulfamoyl)phenyl)acetamide
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 2-((4-(4-methoxyphenyl)piperazin-1-yl)methyl)-5-(2-morpholino-2-oxoethoxy)-4H-pyran-4-one
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • N-(4-(morpholinosulfonyl)benzoyl)-N-phenylpiperidine-1-carboxamide
  • 1-(4-fluorobenzyl)-3-((4-fluorobenzyl)oxy)-N-((tetrahydrofuran-2-yl)methyl)-1H-pyrazole-4-carboxamide
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 2-[3'-(3-methylphenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-1-yl]-N-(2-phenylethyl)acetamide