1-Methylcaffeine supplier | CasNO.832-66-6

Name
1-Methylcaffeine
EINECS
CAS No. 832-66-6
Article Data21
CAS DataBase
Density 1.4 g/cm³
Solubility 2.175g/L(20 oC)
Melting Point 210～211℃
Formula C9H12 N4 O2
Boiling Point 410.7 °C at 760 mmHg
Molecular Weight 208.22
Flash Point 202.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Xanthine,1,3,7,8-tetramethyl- (6CI,7CI,8CI); 1,3,7,8-Tetramethylxanthine;8-Methylcaffeine; Methylcaffeine
PSA 61.82000
LogP -0.72090

1-Methylcaffeine Chemical Properties

IUPAC Name: 1,3,7,8-Tetramethylpurine-2,6-dione
Systematic of 1H-Purine-2,6-dione,3,7-dihydro-1,3,7,8-tetramethyl- (CAS NO.832-66-6): 1,3,7,8-Tetramethylxanthine 1-Methyl-caffeine ; 3,7-Dihydro-1,3,7,8-tetramethyl-1H-purine-2,6-dione ; 5-26-14-00172 (Beilstein Handbook Reference) ; 8-Methylcaffeine ; BRN 0220502 ; Methylcaffeine ; 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7,8-tetramethyl- (9CI) ; Xanthine, 1,3,7,8-tetramethyl-
CAS NO: 832-66-6
Molecular Formula of 1H-Purine-2,6-dione,3,7-dihydro-1,3,7,8-tetramethyl- (CAS NO.832-66-6): C₉H₁₂N₄O₂
Molecular Weight: 208.2172
Molecular Structure:

H bond acceptors: 6
Polar Surface Area: 58.44 Å²
Index of Refraction: 1.658
Molar Refractivity: 54.8 cm³
Molar Volume: 148.6 cm³
Surface Tension: 50.1 dyne/cm
Density of 1H-Purine-2,6-dione,3,7-dihydro-1,3,7,8-tetramethyl- (CAS NO.832-66-6): 1.4 g/cm³
Flash Point: 202.2 °C
Enthalpy of Vaporization: 66.31 kJ/mol
Boiling Point: 410.7 °C at 760 mmHg
Vapour Pressure: 5.89E-07 mmHg at 25°C

1-Methylcaffeine Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	100mg/kg (100mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09192,

Product Name

1-Methylcaffeine

1-Methylcaffeine Chemical Properties

1-Methylcaffeine Toxicity Data With Reference

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