Myrtenyl acetate

Base Information

• Chemical Name: Myrtenyl acetate
• CAS No.: 35670-93-0
• Molecular Formula: C12H18 O2
• Molecular Weight: 194.274
• Hs Code.: 2915390090
• European Community (EC) Number: 252-663-2,214-088-5
• DSSTox Substance ID: DTXSID20862526
• Nikkaji Number: J260.663A
• Wikidata: Q104937473
• Metabolomics Workbench ID: 46839
• Mol file: 35670-93-0.mol

Synonyms:Myrtenyl acetate;35670-93-0;2-Pinen-10-ol, acetate;2-Pinen-10-yl acetate;EINECS 214-088-5;EINECS 252-663-2;(1S)-6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-methanol acetate;Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, acetate, (1S)-;FEMA No. 3765;(6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate;(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate;{6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-EN-2-YL}METHYL ACETATE;BICYCLO(3.1.1)HEPT-2-ENE-2-METHANOL, 6,6-DIMETHYL-, ACETATE, (1S)-;UNII-TI50YAB469;Bicyclo(3.1.1)hept-2-ene-2-methanol, 6,6-dimethyl-, acetate;Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, acetate;(1S)-(6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate;(1S)-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate;(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl acetate;(+/-)-Myrtenyl acetate;Fema 3765;Pina-2-ene-10-ol acetate;SCHEMBL112577;DTXSID20862526;(-)-Myrtenyl acetate, >=95%;LS-43715;(-)-Myrtenyl acetate, analytical standard;2-Pinen-10-ol, acetate (6CI,7CI,8CI);(1S) - (6,6 - dimethylbicyclo(3.1.1)hept - 2 - en - 2 - yl)methyl acetate

Chemical Property of Myrtenyl acetate

Chemical Property:

• Boiling Point: 243.2°Cat760mmHg
• Flash Point: 97.8°C
• PSA: 26.30000
• Density: 1.009g/cm³
• LogP: 2.54190
• 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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=CCC2CC1C2(C)C

Technology Process of Myrtenyl acetate

There total 16 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: 55.0%

lead(IV) tetraacetate (546-67-8) + Tributyl-(6,6-dimethyl-bicyclo[3.1.1]hept-2-en-2-ylmethyl)-stannane (121508-12-1) → myrtenyl acetate (35670-93-0) + lead acetate (301-04-2) + tributyltin acetate (56-36-0)

Guidance literature:

In dichloromethane; mixt. of orgaontin compd and LTA in dry CH2Cl2 stirred at room temp. under N2 for 40 h; quenching with saturated ammonium chloride soln., aq. phase is removed, extd. with chloroform, combd. organic phases are dried, concg., silica gel column chromy. (hexane-chloroform), IR, NMR, MS;

DOI:10.1246/cl.1989.221

upstream raw materials:

acetic anhydride

myrtenol

acetic acid

lead(IV) tetraacetate

Downstream raw materials:

2⁽¹⁰⁾,3-pinadiene

4-methylisopropylbenzene

Refernces

• 1、 Adarme, Carlos A.A.,Le?o, Raquel A.C.,de Souza, Stefania P.,Itabaiana, Ivaldo,de Souza, Rodrigo O.M.A.,Rezende, Claudia M.. "Continuous-Flow Chemo and Enzymatic Synthesis of Monoterpenic Esters with Integrated Purification". . p. 39 - 46. Retrieved 2018/05/22.
• 2、 ?tekrová, Martina,Paterová-Dudková, Iva,Vysko?ilová-Leitmannová, Eli?ka,?erveny, Libor. "Preparation and utilization of perillyl acetate". . p. 2075 - 2084. Retrieved 2013/02/22.