isocalamendiol

Names

[ Name ]:
isocalamendiol

[Synonym ]:
1,9-Trimethylxanthine
1,4a(2H)-Naphthalenediol, octahydro-1-methyl-6-methylene-4-(1-methylethyl)-, (1R,4S,4aR,8aS)-
2,6-Dihydroxy-1,3,9-trimethylpurine
isocalamendiol
ISOCAFFIENE
1,3,9-Trimethylxanthine
isocalamediol
isocalamenediol
1,3,9-trimethyl-3,9-dihydro-purine-2,6-dione
Isocalomendiol
(1R,4S,4aR,8aS)-4-Isopropyl-1-methyl-6-methyleneoctahydro-1,4a(2H)-naphthalenediol
1,3,9-Trimethyl-3,9-dihydro-purin-2,6-dion
isocaffeine

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
342.2±42.0 °C at 760 mmHg

[ Molecular Formula ]:
C₁₅H₂₆O₂

[ Molecular Weight ]:
238.366

[ Flash Point ]:
153.3±22.5 °C

[ Exact Mass ]:
238.193283

[ PSA ]:
40.46000

[ LogP ]:
3.34

[ Vapour Pressure ]:
0.0±1.7 mmHg at 25°C

[ Index of Refraction ]:
1.517

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2906199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2906199090

[ Summary ]:
2906199090. cyclanic, cyclenic or cyclotherpenic alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%