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73747-36-1

73747-36-1 structure
73747-36-1 structure

Name 1,3,7-trimethyl-8-(3-methylcyclohexyl)oxypurine-2,6-dione
Synonyms 1H-Purine-2,6-dione,3,7-dihydro-1,3,7-trimethyl-8-((3-methylcyclohexyl)oxy)
8-((3-Methylcyclohexyl)oxy)caffeine
CAFFEINE,8-((3-METHYLCYCLOHEXYL)OXY)
Density 1.37g/cm3
Boiling Point 474ºC at 760 mmHg
Molecular Formula C15H22N4O3
Molecular Weight 306.36000
Flash Point 240.5ºC
Exact Mass 306.16900
PSA 71.05000
LogP 0.92820
Index of Refraction 1.648

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EV6580000
CHEMICAL NAME :
Caffeine, 8-((3-methylcyclohexyl)oxy)-
CAS REGISTRY NUMBER :
73747-36-1
LAST UPDATED :
197903
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H22-N4-O3
MOLECULAR WEIGHT :
306.41
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ B1 F1 H1 CO- AL6TJ C1

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
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#06882