3,5,5-Trimethylcyclohex-3-en-1-yl acetate

Base Information

Chemical Name:3,5,5-Trimethylcyclohex-3-en-1-yl acetate
CAS No.:22463-33-8
Molecular Formula:C11H18 O2
Molecular Weight:182.263
Hs Code.:2915390090
European Community (EC) Number:245-017-6
DSSTox Substance ID:DTXSID60945145
Nikkaji Number:J285.521F
Mol file:22463-33-8.mol

Synonyms:3,5,5-Trimethylcyclohex-3-en-1-yl acetate;22463-33-8;EINECS 245-017-6;AI3-34004;3-Cyclohexen-1-ol, 3,5,5-trimethyl-, acetate;SCHEMBL11607148;DTXSID60945145;3,5,5-Trimethyl-3-cyclohexen-1-ol acetate;3,5,5-Trimethyl-cyclohex-3-en-1-yl acetate

Suppliers and Price of 3,5,5-Trimethylcyclohex-3-en-1-yl 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 6 raw suppliers

Chemical Property of 3,5,5-Trimethylcyclohex-3-en-1-yl acetate

Chemical Property:

Vapor Pressure:0.151mmHg at 25°C
Boiling Point:215°Cat760mmHg
Flash Point:74.6°C
PSA：26.30000
Density:0.96g/cm³
LogP:2.68440
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:182.130679813
Heavy Atom Count:13
Complexity:239

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(CC(C1)OC(=O)C)(C)C

Technology Process of 3,5,5-Trimethylcyclohex-3-en-1-yl acetate

There total 5 articles about 3,5,5-Trimethylcyclohex-3-en-1-yl 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: 94.0%

: 19020-56-5
trimethyl-3,5,5 cyclohexene-3 ol-1

: 108-24-7
acetic anhydride

: 22463-33-8
(+/-)-3,5,5-Trimethyl-3-cyclohexen-1-yl acetate

Guidance literature:: In acetic acid; Heating;
DOI:10.1016/S0040-4020(01)91870-8

Reference yield:

: 471-01-2
3,5,5-trimethylcyclohex-3-en-1-one

: 22463-33-8
(+/-)-3,5,5-Trimethyl-3-cyclohexen-1-yl acetate

Guidance literature:: Multi-step reaction with 2 steps

1: 6.1 g / LiAlH₄ / diethyl ether / 1 h / 25 °C

2: 7 g / pyridine / 12 h / 20 °C

With lithium aluminium tetrahydride; In pyridine; diethyl ether;
DOI:10.1016/0040-4020(80)88022-7

Reference yield:

: 78-59-1
3,5,5-Trimethylcyclohex-2-en-1-one

: 22463-33-8
(+/-)-3,5,5-Trimethyl-3-cyclohexen-1-yl acetate

Guidance literature:: Multi-step reaction with 3 steps

1: CH₃MgI, FeCl₃

2: 6.1 g / LiAlH₄ / diethyl ether / 1 h / 25 °C

3: 7 g / pyridine / 12 h / 20 °C

With lithium aluminium tetrahydride; methyl magnesium iodide; iron(III) chloride; In pyridine; diethyl ether;
DOI:10.1016/0040-4020(80)88022-7