2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-4-ol

Base Information

• Chemical Name: 2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-4-ol
• CAS No.: 18829-59-9
• Molecular Formula: C15H24 O
• Molecular Weight: 220.355
• European Community (EC) Number: 242-610-1
• DSSTox Substance ID: DTXSID60940317
• Nikkaji Number: J222.321J
• Wikidata: Q82916921
• Mol file: 18829-59-9.mol

Synonyms:18829-59-9;2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-4-ol;cedr-8-en-10-ol;2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-10-ol;DTXSID60940317

Chemical Property of 2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-4-ol

Chemical Property:

• Vapor Pressure: 5.61E-05mmHg at 25°C
• Boiling Point: 309.8°C at 760 mmHg
• Flash Point: 127.6°C
• PSA: 20.23000
• Density: 1.03g/cm³
• LogP: 3.38580
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 220.182715385
• Heavy Atom Count: 16
• Complexity: 354

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCC2C13CC(C2(C)C)C(=CC3O)C

Technology Process of 2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-4-ol

There total 11 articles about 2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-4-ol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 68.0%

→ (8aS)-3c,6,8,8-tetramethyl-(8arH)-1,2,4,7,8,8a-hexahydro-3H-3at,7t-methano-azulenol-(4ξ) (18829-59-9)

Guidance literature:

With methanol; sodium tetrahydroborate; at 20 ℃; for 0.5h;

Reference yield: 15.2%

alpha-cedrene (469-61-4) → cedr-8-en-10α-ol (18829-59-9) + cedr-8-en-10β-ol (1011469-40-1)

Guidance literature:

With biphenyl; 9,10-Dicyanoanthracene; oxygen; In acetonitrile; for 20h; Irradiation;

DOI:10.2174/1570178611310030015

Reference yield:

(+)-cedrenene (22567-49-3) → (8aS)-3c,6,8,8-tetramethyl-(8arH)-1,2,4,7,8,8a-hexahydro-3H-3at,7t-methano-azulenol-(4ξ) (18829-59-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium; ethanol

2: Autoxydation

With ethanol; sodium;

upstream raw materials:

(-)-α-cedrene

(+)-cedrenene

(8aS)-4-oxo-3c,6,8,8-tetramethyl-(8arH)-1,2,3,7,8,8a-hexahydro-3H-3at,7t-methano-azulene; (-)-cedrenone

C₁₂H₁₆O₂

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