Cyclohexanol,3-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)- (3407-42-9)

The Sandenol, with its CAS registry number 3407-42-9, has the IUPAC name of 3-(2,2,3-trimethyl-5-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol. And its product categories are including Food & Feed Additives; Alphabetical Listings; Flavors and Fragrances; Q-Z.

The characteristics of this chemical are as below: (1)ACD/LogP: 5.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.27; (4)ACD/LogD (pH 7.4): 5.27; (5)ACD/BCF (pH 5.5): 5972.68; (6)ACD/BCF (pH 7.4): 5972.68; (7)ACD/KOC (pH 5.5): 17561.98; (8)ACD/KOC (pH 7.4): 17561.98; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 71.66 cm³; (15)Molar Volume: 240.7 cm³; (16)Polarizability: 28.41×10^-24 cm³; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 0.982 g/cm³; (19)Flash Point: 136.5 °C; (20)Enthalpy of Vaporization: 65.66 kJ/mol; (21)Boiling Point: 324.5 °C at 760 mmHg; (22)Vapour Pressure: 1.9E-05 mmHg at 25°C; (23)Exact Mass: 236.214016; (24)MonoIsotopic Mass: 236.214016; (25)Topological Polar Surface Area: 20.2; (26)Heavy Atom Count: 17; (27)Complexity: 296.

When you are using this chemical, you should be very careful. For being irritating to eyes, respiratory system and skin, this chemical may cause inflammation to the skin or other mucous membranes. Due to the above hazard information, you should wear suitable protective clothing. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: CC1C2CC(C1(C)C)CC2C3CCCC(C3)O
(2)InChI: InChI=1S/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h10-15,17H,4-9H2,1-3H3
(3)InChIKey: BWVZAZPLUTUBKD-UHFFFAOYSA-N