8-((3,4-Dihydro-2H-pyran-2-yl)oxy)caffeine

Modify Date: 2025-09-10 15:02:48

8-((3,4-Dihydro-2H-pyran-2-yl)oxy)caffeine structure	Common Name	8-((3,4-Dihydro-2H-pyran-2-yl)oxy)caffeine
	CAS Number	73747-34-9	Molecular Weight	292.29100
	Density	1.47g/cm3	Boiling Point	500.2ºC at 760 mmHg
	Molecular Formula	C₁₃H₁₆N₄O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	256.3ºC

Name	8-(3,4-dihydro-2H-pyran-2-yloxy)-1,3,7-trimethylpurine-2,6-dione
Synonym	More Synonyms

Density	1.47g/cm3
Boiling Point	500.2ºC at 760 mmHg
Molecular Formula	C₁₃H₁₆N₄O₄
Molecular Weight	292.29100
Flash Point	256.3ºC
Exact Mass	292.11700
PSA	80.28000
Index of Refraction	1.664
InChIKey	GPWXHOLHOLBUHO-UHFFFAOYSA-N
SMILES	Cn1c(=O)c2c(nc(OC3CCC=CO3)n2C)n(C)c1=O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EV6507500

CHEMICAL NAME :: Caffeine, 8-((3,4-dihydro-2H-pyran-2-yl)oxy)-

CAS REGISTRY NUMBER :: 73747-34-9

LAST UPDATED :: 197903

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H16-N4-O4

MOLECULAR WEIGHT :: 292.33

WISWESSER LINE NOTATION :: T56 BN DN FNVNVJ B1 F1 H1 CO- FT6O BUTJ

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 :: 100 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#06883

8-((3,4-Dihydro-2H-pyran-2-yl)oxy)caffeine

CAFFEINE,8-((3,4-DIHYDRO-2H-PYRAN-2-YL)OXY)

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Product Name: 8-((3,4-Dihydro-2H-pyran-2-yl)oxy)caffeine
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Purity: 98.0%
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