(-)-Myrtenyl acetate

Base Information

• Chemical Name: (-)-Myrtenyl acetate
• CAS No.: 36203-31-3
• Molecular Formula: C12H18 O2
• Molecular Weight: 194.274
• European Community (EC) Number: 252-909-9
• UNII: 8W7GD2GF45
• DSSTox Substance ID: DTXSID001017397
• Nikkaji Number: J319.582A
• Wikidata: Q27271112
• Mol file: 36203-31-3.mol

Synonyms:(-)-Myrtenyl acetate;36203-31-3;Myrtenyl acetate, (-)-;8W7GD2GF45;[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl acetate;UNII-8W7GD2GF45;EINECS 252-909-9;(-)-O-ACETYLMYRTENOL;SCHEMBL12032197;DTXSID001017397;(1R)-(6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate;Q27271112;Bicyclo(3.1.1)hept-2-ene-2-methanol, 6,6-dimethyl-, acetate, (1theta)-;BICYCLO(3.1.1)HEPT-2-ENE-2-METHANOL, 6,6-DIMETHYL-, 2-ACETATE, (1R,5S)-;BICYCLO(3.1.1)HEPT-2-ENE-2-METHANOL, 6,6-DIMETHYL-, ACETATE, (1R)-;BICYCLO(3.1.1)HEPT-2-ENE-2-METHANOL, 6,6-DIMETHYL-, ACETATE, (1R,5S)-

Chemical Property of (-)-Myrtenyl acetate

Chemical Property:

• Refractive Index: n20/D1.470-1.474
• Boiling Point: 243.2°Cat760mmHg
• Flash Point: 97.8°C
• PSA: 26.30000
• Density: 1.009g/cm³
• LogP: 2.54190
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 194.130679813
• Heavy Atom Count: 14
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

(?)-Myrtenyl acetate ≥95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=CCC2CC1C2(C)C
• Isomeric SMILES: CC(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C

Technology Process of (-)-Myrtenyl acetate

There total 20 articles about (-)-Myrtenyl 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: 100.0%

myrtenol (6712-78-3) + acetic anhydride (108-24-7) → (1R)-(-)-myrtenyl acetate (35670-93-0,36203-31-3,1079-01-2)

Guidance literature:

In neat (no solvent); Molecular sieve; Microwave irradiation; Green chemistry;

DOI:10.3762/bjoc.12.214

Reference yield: 91.0%

myrtenol (6712-78-3) + acetyl chloride (75-36-5) → (1R)-(-)-myrtenyl acetate (35670-93-0,36203-31-3,1079-01-2)

Guidance literature:

With triethylamine;

DOI:10.1016/S0040-4039(02)00337-4

Reference yield: 87.0%

(1R)-Myrtenol (19894-97-4) + acetic anhydride (108-24-7) → [(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl acetate (36203-31-3)

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; In acetonitrile; at 20 ℃; for 0.25h;

DOI:10.1021/jo980011z

upstream raw materials:

beta-pinene

(1R)-Myrtenol

acetic anhydride

mercury(II) diacetate

Downstream raw materials:

(-)-α-pinene

(1S)-(-)-cis-pinane

3-phenyl-β-pinene

2-benzyl-6,6-dimethylbicyclo<3.1.1>hept-2-ene