3-Methyl-3-hexen-2-ol

Base Information

Chemical Name:3-Methyl-3-hexen-2-ol
CAS No.:76966-27-3
Molecular Formula:C7H14 O
Molecular Weight:114.188
Hs Code.:2905290000
Mol file:76966-27-3.mol

Synonyms:3-Methyl-3-hexen-2-ol;76966-27-3;SCHEMBL8224493;SCHEMBL8224498;ALSBKNSBCLYOOI-AATRIKPKSA-N;(3E)-3-Methyl-3-hexen-2-ol;(3E)-3-Methyl-3-hexen-2-ol #;AKOS006274366

Suppliers and Price of 3-Methyl-3-hexen-2-ol

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 5 raw suppliers

Chemical Property of 3-Methyl-3-hexen-2-ol

Chemical Property:

Vapor Pressure:0.876mmHg at 25°C
Melting Point:26°C (estimate)
Refractive Index:1.4320 (estimate)
Boiling Point:159.5°C at 760 mmHg
Flash Point:58.6°C
PSA：20.23000
Density:0.843g/cm³
LogP:1.72350
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:114.104465066
Heavy Atom Count:8
Complexity:84.4

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC=C(C)C(C)O
Isomeric SMILES:CC/C=C(\C)/C(C)O

Technology Process of 3-Methyl-3-hexen-2-ol

There total 4 articles about 3-Methyl-3-hexen-2-ol 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: 55.0%

: 917-54-4
methyllithium

: 623-36-9
(E)-2-methylpent-2-enal

: 76966-27-3
(3E)-3-methylhex-3-en-2-ol

Guidance literature:: In tetrahydrofuran; diethyl ether; at 0 ℃; for 5h;
DOI:10.1021/acs.joc.7b03098

Reference yield: 53.0%

: 676-58-4
methylmagnesium chloride

: 623-36-9
(E)-2-methylpent-2-enal

: 76966-27-3
(3E)-3-methylhex-3-en-2-ol

Guidance literature:: methylmagnesium chloride; (E)-2-methylpent-2-enal; In tetrahydrofuran; at 20 ℃; Inert atmosphere; Reflux;

With water; ammonium chloride; In tetrahydrofuran; at 0 - 10 ℃;

Reference yield:

: 623-36-9
(E)-2-methylpent-2-enal

: 32749-94-3,3944-76-1
2,3-dimethylvaleraldehyde

: 76966-27-3
(3E)-3-methylhex-3-en-2-ol

Guidance literature:: With ammonium chloride; In tetrahydrofuran; diethyl ether; Yield given. Yields of byproduct given;
DOI:10.1016/0040-4020(80)80126-8