Cedranyl acetate

Base Information

• Chemical Name: Cedranyl acetate
• CAS No.: 77-54-3
• Deprecated CAS: 2258642-85-0
• Molecular Formula: C17H28O2
• Molecular Weight: 264.408
• Hs Code.: 2915390090
• European Community (EC) Number: 201-036-1,639-197-9
• UNII: 0WS0WJ9WNV
• DSSTox Substance ID: DTXSID4047204
• Metabolomics Workbench ID: 133053
• Nikkaji Number: J39.197B
• RXCUI: 2557382
• Wikidata: Q27231200
• Mol file: 77-54-3.mol

Synonyms:Cedryl acetate;77-54-3;Cedrol acetate;Cedrol, acetate;Cedranyl acetate;0WS0WJ9WNV;61789-42-2;[(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate;1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, 6-acetate, (3R,3aS,6R,7R,8aS)-;(3R,3aS,6R,7R,8aS)-3,6,8,8-Tetramethyloctahydro-1H-3a,7-methanoazulen-6-yl acetate;Acetic acid, cedrol ester;8.beta.H-Cedran-8-ol, acetate;1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate;UNII-0WS0WJ9WNV;8beta-H-Cedran-8-ol acetate;DTXSID4047204;SCHEMBL17409526;CHEBI:172505;HQKQRXZEXPXXIG-DTWJZALFSA-N;1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, (3R,3aS,6R,7R,8aS)-;EINECS 201-036-1;s4793;8-beta-H-CEDRAN-8-OL, ACETATE;AKOS025310874;CCG-267092;CS-W010133;HY-W009417;AS-35264;AI3-24206;NS00012087;Q27231200;(+)-Cedryl acetate, technical, >=90% (sum of enantiomers, GC);(3R-(3alpha,3Abeta,6alpha,7beta,8aalpha))-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl acetate;Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-yl acetate, (3R-(3alpha,3abeta,6alpha,7beta,8aalpha))-

Chemical Property of Cedranyl acetate

Chemical Property:

• Appearance/Colour: colorless to brown thick liquid
• Vapor Pressure: 0.00192mmHg at 25°C
• Melting Point: 44-46 °C
• Refractive Index: n20/D 1.499(lit.)
• Boiling Point: 291.7 °C at 760 mmHg
• Flash Point: 137 °C
• PSA: 26.30000
• Density: 1.02 g/cm³
• LogP: 4.18060
• Storage Temp.: 2-8°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 264.208930132
• Heavy Atom Count: 19
• Complexity: 414

Purity/Quality:

99.9% ^*data from raw suppliers

(+)-Cedryl acetate technical, ≥90% (sum of enantiomers, GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 38

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2C13CCC(C(C3)C2(C)C)(C)OC(=O)C
• Isomeric SMILES: C[C@@H]1CC[C@@H]2[C@]13CC[C@@]([C@H](C3)C2(C)C)(C)OC(=O)C

Technology Process of Cedranyl acetate

There total 2 articles about Cedranyl 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:

Isopropenyl acetate (108-22-5) + (+)-cedrol (77-53-2) → (+)-cedryl acetate (77-54-3)

Guidance literature:

toluene-4-sulfonic acid;

DOI:10.1016/S0040-4039(00)84910-2

Reference yield:

→ (+)-cedryl acetate (77-54-3)

Guidance literature:

α-Cedren, Pb3O4, AcOH, Ac2O, 60grad;

Reference yield: 93.0%

(+)-cedryl acetate (77-54-3) → alpha-cedrene (469-61-4)

Guidance literature:

With tetrafluoroboric acid; In 1,4-dioxane; at 100 ℃; for 1h;

DOI:10.1016/S0040-4020(01)91010-5

upstream raw materials:

Isopropenyl acetate

(+)-cedrol

Downstream raw materials:

β‐cedrene

alpha-cedrene

trans-1,2-dimethylcyclohexan-1-ol

Refernces