3-Ethyl-3-hexene

Base Information

Chemical Name:3-Ethyl-3-hexene
CAS No.:16789-51-8
Molecular Formula:C8H16
Molecular Weight:112.215
Hs Code.:2901299090
DSSTox Substance ID:DTXSID70168424
Nikkaji Number:J147.946F
Wikidata:Q83038028
Mol file:16789-51-8.mol

Synonyms:3-Ethyl-3-hexene;3-ethylhex-3-ene;16789-51-8;3-Hexene, 3-ethyl-;(C2H5)2C=CHC2H5;3-Hexene, 3-ethyl;DTXSID70168424;AUJLDZJNMXNESO-UHFFFAOYSA-N;MFCD00059249;FT-0692149

Suppliers and Price of 3-Ethyl-3-hexene

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

TRC
3-Ethyl-3-hexene
500mg
$ 760.00

Total 4 raw suppliers

Chemical Property of 3-Ethyl-3-hexene

Chemical Property:

Vapor Pressure:22.1mmHg at 25°C
Melting Point:-103.01°C (estimate)
Refractive Index:1.4160
Boiling Point:116 °C
Flash Point:9.2°C
PSA：0.00000
Density:0.73
LogP:3.14280
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:3
Exact Mass:112.125200510
Heavy Atom Count:8
Complexity:64.1

Purity/Quality:

99% ^*data from raw suppliers

3-Ethyl-3-hexene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC=C(CC)CC
Uses 3-Ethyl-3-hexene is an intermediate in the synthesis of 3-Ethylhexane (E918765), which is a chemical component of some essential oils, having antibacterial activities. It is also found to be the aroma components of scented rice.

Technology Process of 3-Ethyl-3-hexene

There total 11 articles about 3-Ethyl-3-hexene 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:

: 928-49-4
hex-3-yne

: 19550-88-0
trans-3,4-Dimethyl-3-hexene

: 16789-51-8
3-hexene, 3-ethyl-

: 3899-36-3
(E)-3-methyl-3-hexene

: (E)-4-ethyl-3-octene

Guidance literature:: With lithium; dimethyl sulfate; Yield given. Multistep reaction. Further byproducts given. Yields of byproduct given; 1.) Et₂O, r.t., 664 h; 2.) Et₂O, -40 deg C to r.t.;
DOI:10.1016/S0040-4020(01)85287-X

Reference yield:

: 928-49-4
hex-3-yne

: 925-90-6
ethylmagnesium bromide

: 16789-51-8
3-hexene, 3-ethyl-

Guidance literature:: hex-3-yne; ethylmagnesium bromide; With zirconocene dichloride; In tetrahydrofuran; at -78 - 25 ℃;

With aluminium trichloride; In tetrahydrofuran; at -30 ℃;
DOI:10.1021/jo052157l