3,7-Dihydro-8-[(3-methylcyclohexyl)oxy]-1,3,7-trimethyl-1H-purine-2,6-dione

名称

[ CAS 号 ]:
73747-36-1

[ 英文名 ]:
3,7-Dihydro-8-[(3-methylcyclohexyl)oxy]-1,3,7-trimethyl-1H-purine-2,6-dione

[英文别名 ]:

8-((3-Methylcyclohexyl)oxy)caffeine
CAFFEINE,8-((3-METHYLCYCLOHEXYL)OXY)

物理化学性质

[ 密度 ]:
1.37g/cm3

[ 沸点 ]:
474ºC at 760 mmHg

[ 分子式 ]:
C₁₅H₂₂N₄O₃

[ 分子量 ]:
306.36000

[ 闪点 ]:
240.5ºC

[ 精确质量 ]:
306.16900

[ PSA ]:
71.05000

[ LogP ]:
0.92820

[ 折射率 ]:
1.648

毒性和生态

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

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