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

  • 2-Methoxybicyclo[2.2.2]octane-2-carbaldehyde
  • 6-bromo-3,4,5-trichloroQuinoline
  • Tert-butyl 2-(5-methylpyrrolidin-3-yl)acetate
  • 3,4-dichloro-6-methoxy-1,7-Naphthyridine
  • 6-bromo-3-chloro-4-[(2,5-dimethylphenyl)amino]-2-Quinolinecarboxylic acid
  • 3,6-Difluoro-2-methylbenzotrifluoride
  • 2,2-Dimethyl-3-(1-methyl-1H-pyrazol-4-yl)propanal
  • 1-(2-Hydroxyethyl)cyclobutane-1-carbaldehyde
  • 4-Bromo-6-[2-[tris(propan-2-yl)silyl]ethynyl}pyridin-2-amine
  • 2-(tert-butylsulfinylamino)-N'-hydroxy-2-methyl-3-phenylmethoxypropanimidamide
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