2-Isopropyl-5-methylhex-4-enyl acetate

Base Information

Chemical Name:2-Isopropyl-5-methylhex-4-enyl acetate
CAS No.:74912-37-1
Molecular Formula:C12H22 O2
Molecular Weight:198.305
Hs Code.:2915390090
European Community (EC) Number:278-019-0
UNII:N75R61RYPB
DSSTox Substance ID:DTXSID60996399
Nikkaji Number:J349.474H
Wikidata:Q27284656
Mol file:74912-37-1.mol

Synonyms:74912-37-1;2-Isopropyl-5-methylhex-4-enyl acetate;UNII-N75R61RYPB;N75R61RYPB;EINECS 278-019-0;SCHEMBL1471945;DTXSID60996399;JMTJOEMOBHPDMW-UHFFFAOYSA-N;NS00012757;5-Methyl-2-(propan-2-yl)hex-4-en-1-yl acetate;5-methyl-2-(1-methylethyl)-4-hexen-1-ol acetate;Q27284656;4-HEXEN-1-OL, 5-METHYL-2-(1-METHYLETHYL)-, 1-ACETATE

Suppliers and Price of 2-Isopropyl-5-methylhex-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-Isopropyl-5-methylhex-4-enyl acetate

Chemical Property:

Vapor Pressure:0.112mmHg at 25°C
Boiling Point:220.5°C at 760 mmHg
Flash Point:61.6°C
PSA：26.30000
Density:0.885g/cm³
LogP:3.17800
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:198.161979940
Heavy Atom Count:14
Complexity:200

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-Isopropyl-5-methylhex-4-enyl acetate

There total 3 articles about 2-Isopropyl-5-methylhex-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:

: 25905-14-0,50373-59-6
lavandulyl acetate

: 40853-55-2
2-isopropyl-5-methylhexyl acetate

: 74912-37-1
dihydrolavandulyl acetate

Guidance literature:: With pyridine; potassium diazodicarboxylate; In acetic acid; at 50 ℃; for 81h; Yield given. Yields of byproduct given;
DOI:10.1021/ja00369a044

Reference yield:

: 1191-16-8
3-methylbut-2-enyl acetate

: 74912-37-1
dihydrolavandulyl acetate

Guidance literature:: Multi-step reaction with 2 steps

1: aluminum chloride / ethyl acetate / 0.08 h / Ambient temperature

2: potassium azodicarboxylate, pyridine / acetic acid / 81 h / 50 °C

With pyridine; aluminium trichloride; potassium diazodicarboxylate; In acetic acid; ethyl acetate;
DOI:10.1021/ja00369a044