2,2,5-Trimethylhex-4-enyl acetate

Base Information

Chemical Name:2,2,5-Trimethylhex-4-enyl acetate
CAS No.:94087-22-6
Molecular Formula:C11H20 O2
Molecular Weight:184.279
Hs Code.:
European Community (EC) Number:301-915-0
DSSTox Substance ID:DTXSID30240412
Nikkaji Number:J368.034G
Mol file:94087-22-6.mol

Synonyms:2,2,5-Trimethylhex-4-enyl acetate;94087-22-6;EINECS 301-915-0;SCHEMBL17106178;DTXSID30240412;2,2,5-Trimethyl-4-hexen-1-ol acetate

Suppliers and Price of 2,2,5-Trimethylhex-4-enyl 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 7 raw suppliers

Chemical Property of 2,2,5-Trimethylhex-4-enyl acetate

Chemical Property:

Vapor Pressure:0.427mmHg at 25°C
Boiling Point:195.1°Cat760mmHg
Flash Point:53.1°C
PSA：26.30000
Density:0.89g/cm³
LogP:2.93200
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:184.146329876
Heavy Atom Count:13
Complexity:198

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CCC(C)(C)COC(=O)C)C

Technology Process of 2,2,5-Trimethylhex-4-enyl acetate

There total 4 articles about 2,2,5-Trimethylhex-4-enyl 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: 77.0%

: 108-24-7
acetic anhydride

: 53965-16-5
2,2,5,5-tetramethylpent-4-en-1-ol

: 94087-22-6
2,2,5-trimethylhex-4-en-1-yl acetate

Guidance literature:: With sodium acetate; at 20 ℃; for 20.25h; Inert atmosphere; Reflux;
DOI:10.1021/om401181h

Reference yield:

: 66478-19-1
methyl 2,2,5-trimethylhex-4-enoate

: 94087-22-6
2,2,5-trimethylhex-4-en-1-yl acetate

Guidance literature:: Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / diethyl ether / 3 h / 0 - 20 °C / Inert atmosphere

2: sodium acetate / 20.25 h / 20 °C / Inert atmosphere; Reflux

With lithium aluminium tetrahydride; sodium acetate; In diethyl ether;
DOI:10.1021/om401181h

Reference yield:

: 870-63-3
prenyl bromide

: 94087-22-6
2,2,5-trimethylhex-4-en-1-yl acetate

Guidance literature:: Multi-step reaction with 3 steps

1.1: n-butyllithium; diisopropylamine / tetrahydrofuran; hexane / 1.5 h / -78 °C / Inert atmosphere

1.2: 1.5 h / -78 °C / Inert atmosphere

2.1: lithium aluminium tetrahydride / diethyl ether / 3 h / 0 - 20 °C / Inert atmosphere

3.1: sodium acetate / 20.25 h / 20 °C / Inert atmosphere; Reflux

With lithium aluminium tetrahydride; n-butyllithium; sodium acetate; diisopropylamine; In tetrahydrofuran; diethyl ether; hexane;
DOI:10.1021/om401181h