Cedrenyl acetate

Base Information

• Chemical Name: Cedrenyl acetate
• CAS No.: 1405-92-1
• Deprecated CAS: 65082-67-9
• Molecular Formula: C17H26O2
• Molecular Weight: 262.392
• European Community (EC) Number: 215-789-9
• DSSTox Substance ID: DTXSID3051709
• Nikkaji Number: J298.600K
• Wikidata: Q76009812

Synonyms:Cedrenyl acetate;Cedrenol, acetate;1405-92-1;EINECS 215-789-9;1H-3a,7-Methanoazulene-6-methanol, 2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, acetate, (3R,3aS,7R,8aS)-;cedr-8-en-15-yl acetate;[(1S,2R,5S,7R)-2,6,6-trimethyl-8-tricyclo[5.3.1.01,5]undec-8-enyl]methyl acetate;(3R-(3alpha,3Abeta,7beta,8aalpha))-2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulene-6-methyl acetate;[3R-(3alpha,3abeta,7beta,8aalpha)]-2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulene-6-methyl acetate;SCHEMBL2574341;DTXSID3051709;LS-90489;(3R - (3a,3ab,7b,8aa)) - 2,3,4,7,8,8a - hexahydro - 3, 8,8 - trimethyl - 1H - 3a,7 - methanoazulene - 6 - carboxaldehyde;1H-3a,7-Methanoazulene-6-methanol, 2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, 6-acetate, (3R,3aS,7R,8aS)-;1H-3a,7-Methanoazulene-6-methanol, 2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, acetate, (3R-(3alpha,3abeta,7beta,8aalpha))-;1H-3a,7-Methanoazulene-6-methanol, 2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, acetate, [3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-;Acetic acid [[(3R)-2,3,4,7,8,8abeta-hexahydro-3beta,8,8-trimethyl-1H-3aalpha,7alpha-methanoazulen]-6-yl]methyl ester

Chemical Property of Cedrenyl acetate

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 262.193280068
• Heavy Atom Count: 19
• Complexity: 435

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2C13CC=C(C(C3)C2(C)C)COC(=O)C
• Isomeric SMILES: C[C@@H]1CC[C@@H]2[C@]13CC=C([C@H](C3)C2(C)C)COC(=O)C

Technology Process of Cedrenyl acetate

There total 3 articles about Cedrenyl acetate 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: 61.0%

→ ((3R,3aS,7R,8aS)-3,8,8-trimethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-cedarane-6-yl)methyl acetate (1405-92-1) + ((2aR,3R,5aS,7R)-3,6,6-trimethyloctahydro-7aH-2a,7-cedarane[5,6-b]oxiran-7a-yl)methyl acetate

Guidance literature:

With sodium percarbonate; acetic anhydride; at 20 ℃; for 8h; Sonication;

Reference yield:

(-)-α-cedrene (469-61-4) + acetic anhydride (108-24-7) → ((3R,3aS,7R,8aS)-3,8,8-trimethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-cedarane-6-yl)methyl acetate (1405-92-1)

Guidance literature:

With selenium(IV) oxide; at 100 ℃; sowie bei Siedetemperatur;

DOI:10.1007/BF03345099

Reference yield:

→ 13-Acetoxy-5-cedren (1405-92-1)

Guidance literature:

α-Cedren, Pb3O4, AcOH, Ac2O, 60grad;

upstream raw materials:

(-)-α-cedrene

acetic anhydride

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