Myrtanyl acetate

Base Information

• Chemical Name: Myrtanyl acetate
• CAS No.: 29021-36-1
• Molecular Formula: C12H20 O2
• Molecular Weight: 196.29
• Hs Code.: 2915390090
• European Community (EC) Number: 249-371-2
• DSSTox Substance ID: DTXSID30865462
• Nikkaji Number: J286.501G
• Wikidata: Q81986425
• Mol file: 29021-36-1.mol

Synonyms:Myrtanyl acetate;29021-36-1;(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methyl acetate;EINECS 249-371-2;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl acetate;(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)methyl acetate;(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)methyl acetate;{6,6-dimethylbicyclo[3.1.1]heptan-2-yl}methyl acetate;(-)-cis-Myrtanyl acetate;SCHEMBL11200423;DTXSID30865462;6,6-Dimethylbicyclo[3.1.1]heptane-2-methanol acetate;(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methyl acetate #;Bicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-, acetate

Chemical Property of Myrtanyl acetate

Chemical Property:

• Vapor Pressure: 0.0583mmHg at 25°C
• Boiling Point: 232.7°Cat760mmHg
• Flash Point: 90.4°C
• PSA: 26.30000
• Density: 0.975g/cm³
• LogP: 2.62180
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 196.146329876
• Heavy Atom Count: 14
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1CCC2CC1C2(C)C

Technology Process of Myrtanyl acetate

There total 6 articles about Myrtanyl 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:

→ trans-myrtanol acetate (29021-36-1)

Guidance literature:

Aus Dihydromyrtenol (Bei der katal. Reduktion von Myrtenol mit Acetanhydrid in Pyridin beim Raumtemp.);

Reference yield:

cis-myrtanol (473-01-8,514-99-8,15358-91-5,15358-92-6,51152-12-6,53369-17-8,73136-30-8,132203-71-5) + acetic anhydride (108-24-7) → (1R)-10-Acetoxy-cis-pinan (29021-36-1,90934-53-5)

Guidance literature:

With sodium acetate;

DOI:10.1246/bcsj.8.371

Reference yield:

myrtenal (23727-16-4) → (1R)-10-Acetoxy-cis-pinan (29021-36-1,90934-53-5)

Guidance literature:

Multi-step reaction with 2 steps

1: platinum / Hydrogenation

2: sodium acetate

With sodium acetate; platinum;

upstream raw materials:

2-chloromethyl-6,6-dimethylbicyclo[3.1.1]heptane

silver(I) acetate

sodium acetate

cis-myrtanol