513-23-5

Basic information

• Product Name: THUJYL ALCOHOL
• Synonyms: THUJYL ALCOHOL;SABINENE 98+%;1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol;THUJYL ALCOHOL(SG)
• CAS NO: 513-23-5
• Molecular Formula: C₁₀H₁₈O
• Molecular Weight: 150.22
• EINECS: 208-911-7
• Mol File: 513-23-5.mol
• Article Data: 1

Chemical Properties

• Melting Point: 58-62 °C
• Boiling Point: 209°C (estimate)
• Flash Point: 83.7°C
• Appearance: /
• Density: 0.9210
• Vapor Pressure: 0.0474mmHg at 25°C
• Refractive Index: 1.4621 (estimate)
• PKA: 15.31±0.60(Predicted)
• CAS DataBase Reference: THUJYL ALCOHOL(CAS DataBase Reference)
• NIST Chemistry Reference: THUJYL ALCOHOL(513-23-5)
• EPA Substance Registry System: THUJYL ALCOHOL(513-23-5)

Safety Data

• WGK Germany: 3
• F: 8-10-23
• Hazardous Substances Data: 513-23-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8+,9+,10-/m1/s1

Upstream product

• 59503-88-7 (+/-)-3-Isothujanol-p-nitrobenzoat 
• 7788-93-4 (-)-Isothujanol-p-toluolsulfonat 

Downstream Products

• 1125-12-8 thujone 

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.