7712-79-0

Basic information

• Product Name: (1S,5α)-4β-Methyl-1-isopropylbicyclo[3.1.0]hexan-3α-ol
• Synonyms: (+)-3-Thujanol
• CAS NO: 7712-79-0
• Molecular Formula: C₁₀H₁₈O
• Molecular Weight: 154.25
• Mol File: 7712-79-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 209.1±8.0 °C(Predicted)
• Appearance: /
• Density: 1.019±0.06 g/cm3(Predicted)
• PKA: 15.31±0.60(Predicted)
• CAS DataBase Reference: (1S,5α)-4β-Methyl-1-isopropylbicyclo[3.1.0]hexan-3α-ol(CAS DataBase Reference)
• NIST Chemistry Reference: (1S,5α)-4β-Methyl-1-isopropylbicyclo[3.1.0]hexan-3α-ol(7712-79-0)
• EPA Substance Registry System: (1S,5α)-4β-Methyl-1-isopropylbicyclo[3.1.0]hexan-3α-ol(7712-79-0)

Safety Data

• Hazardous Substances Data: 7712-79-0(Hazardous Substances Data)

Upstream product

• 59503-88-7 (+/-)-3-Isothujanol-p-nitrobenzoat 
• 7788-93-4 (-)-Isothujanol-p-toluolsulfonat 
• 64-17-5 ethanol 
• 1125-12-8 (-)-α-thujone 
• 471-15-8 (+)-isothujone 

Downstream Products

• 40267-59-2 (+)-isothujone oxime 
• 2553-61-9 (1S,4S)-thujan-3-one-(2,4-dinitro-phenylhydrazone); (+)-isothujone-(2,4-dinitro-phenylhydrazone) 

Relevant articles and documents

(-) 3 Isothujone, a small nonnitrogenous molecule with antinociceptive activity in mice

(-) 3 isothujone and (+) 3 thujone were examined for antinociceptive activity using the hot plate and Nilsen tests. In the hot plate test (-) 3 isothujone (ED50 = 6.5 mg/kg) was found to be codeine like and equipotent with (-) Δ9 tetrahydrocannabinol while the racemic material was essentially half as potent as the levorotatory isomer. (+) 3 Thyjone was inactive in both antinociceptive tests as were several structural analogues of the 3 thujones. As with the THC's less antinociceptive activity was observed in the Nilsen test than in the hot plate assay. Acute toxicities for the 3 thujones were determined and vastly improved synthetic procedures have been developed for two long known but difficultly accessible 3 thujanols.