2H-2a,7-Methanoazuleno[5,6-b]oxirene,octahydro-3,6,6,7a-tetramethyl-, (1aS,2aR,3R,5aS,7R,7aR)- (13567-39-0)

The 8,9-Epoxy cedrane ,its cas register number is 13567-39-0.It also can be called as 1aS-(1aalpha,2abeta,3aalpha,5aalpha,7beta,7aalpha))-Octahydro-3,6,6,7a-tetramethyl-2H-2a,7-methanoazuleno(5,6-b)oxiraneand and Cedrane, 8,9alpha-epoxy- .it has two other registry numbers:  11000-57-0 and 21996-68-9 .It belongs to the Industrial/Fine Chemicals.It has dry sweet woody cedar, amber fragrance, microstrip camphor-like nuances, In addition, this chemical can be used as a flavoring and flavoring agent.

Following are the chemical properties about 8,9-Epoxy cedrane :(1)#H bond acceptors: 1 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 0 ; (4)Polar Surface Area: 12.53Ų ; (5)Index of Refraction: 1.528 ; (6)Molar Refractivity: 65 cm³ ; (7)Molar Volume: 210.8 cm³ ; (8)Polarizability: 25.76x10^-24cm³ ; (9)Surface Tension: 35.3 dyne/cm ; (10)Enthalpy of Vaporization: 48.21 kJ/mol ; (11)Vapour Pressure: 0.0159 mmHg at 25°C .

A new method of synthesizing 8,9-Epoxy cedrane : It was firstly synthesized at home and abroad form alapha-cedrene by epoxidation of hydrogen peroxide under the catalysis of ruthenium trichloride and pyridine-2,6-dicarboxylic acid. The optimal conditions dor synthesis of epoxycedrane were 1.90% of ruthenium trichloride,12.28% of pyridine-2,6-dicarboxylic acid, 8 times(equiv) of hydrogen peroxide, 20h and 30°C . This method not only operates simply and reacts warmly, but also realize 100% conversion of lapha-cedrene and 84% selectivity of the target product.

This chemicals can be described computed from structure:
(1)Canonical SMILES: CC1CCC2C13CC(C2(C)C)C4(C(C3)O4)C
(2)InChI: InChI=1S/C15H24O/c1-9-5-6-10-13(2,3)11-7-15(9,10)8-12-14(11,4)16-12/h9-12H,5-8H2,1-4H3 
(3)InChIKey: HZRFVTRTTXBHSE-UHFFFAOYSA-N