Myrcenyl acetate

Base Information

Chemical Name:Myrcenyl acetate
CAS No.:1118-39-4
Molecular Formula:C12H20 O2
Molecular Weight:196.29
Hs Code.:2915390090
European Community (EC) Number:214-262-0,273-868-3
UNII:4BS9397SE5
DSSTox Substance ID:DTXSID4047416
Nikkaji Number:J42.533H
Wikidata:Q27259381
ChEMBL ID:CHEMBL3186281
Mol file:1118-39-4.mol

Synonyms:Myrcenyl acetate;1118-39-4;Neobergamate;Pseudo linalyl acetate;bergamyl acetate;Acetic acid, myrcenyl ester;2-methyl-6-methylideneoct-7-en-2-yl acetate;7-OCTEN-2-OL, 2-METHYL-6-METHYLENE-, ACETATE;EINECS 214-262-0;(2-methyl-6-methylideneoct-7-en-2-yl) acetate;BRN 1768049;UNII-4BS9397SE5;2-Methyl-6-methylene-7-octen-2-yl acetate;3-Methylene-7-methyl-1-octen-7-yl acetate;69103-01-1;DTXSID4047416;4BS9397SE5;7-Octen-2-ol, 2-methyl-6-methylene-, 2-acetate;EINECS 273-868-3;Acetic acid, 2-methyl-6-methylene-7-octen-2-yl ester;2-Acetoxy-2-methyl-6-methylene-7-octene;4-02-00-00205 (Beilstein Handbook Reference);MYRCENOL, ACETATE;SCHEMBL1170763;CHEMBL3186281;DTXCID2027416;Tox21_302568;AKOS006272418;2-Methyl-6-methylene-7-octenyl acetate;NCGC00256724-01;LS-98124;7-Acetoxy-7-methyl-3-methylene-1-octene;CAS-1118-39-4;(2-METHYL-6-METHYLENE-7-OCTEN-2-YL) ACETATE;ACETATE, 2-METHYL-6-METHYLENE-7-OCTEN-2-YL;Q27259381

Suppliers and Price of Myrcenyl acetate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 14 raw suppliers

Chemical Property of Myrcenyl acetate

Chemical Property:

Vapor Pressure:0.0147mmHg at 25°C
Refractive Index:1.4480 (estimate)
Boiling Point:257.2°C at 760 mmHg
Flash Point:90.4°C
PSA：26.30000
Density:0.891g/cm³
LogP:3.24060
Water Solubility.:49.6mg/L at 24℃
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:196.146329876
Heavy Atom Count:14
Complexity:227

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC(C)(C)CCCC(=C)C=C

Technology Process of Myrcenyl acetate

There total 6 articles about Myrcenyl 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: 71.0%

: 543-39-5
myrcenol

: 75-36-5
acetyl chloride

: 1118-39-4
2-methyl-6-methylideneoct-7-en-2-yl acetate

Guidance literature:: With pyridine; In dichloromethane; at 0 - 20 ℃; for 2h;
DOI:10.1002/cctc.201500993

Reference yield:

: 123-35-3
7-methyl-3-methene-1,6-octadiene

: 64-19-7,77671-22-8
acetic acid

: 1118-39-4
2-methyl-6-methylideneoct-7-en-2-yl acetate

Guidance literature:: With sulfuric acid;
DOI:10.1021/ja01526a061

Reference yield:

: 123-35-3
7-methyl-3-methene-1,6-octadiene

: 1118-39-4
2-methyl-6-methylideneoct-7-en-2-yl acetate

Guidance literature:: Multi-step reaction with 2 steps

1: 40 percent / NBS, H₂SO₄ / dioxane / Ambient temperature

2: triethyl amine

With N-Bromosuccinimide; sulfuric acid; triethylamine; In 1,4-dioxane;