1,1-Diethoxyhex-2-ene

Base Information

• Chemical Name: 1,1-Diethoxyhex-2-ene
• CAS No.: 54306-00-2
• Molecular Formula: C10H20 O2
• Molecular Weight: 172.268
• Hs Code.: 2911000000
• European Community (EC) Number: 259-086-5
• DSSTox Substance ID: DTXSID90866410
• Mol file: 54306-00-2.mol

Synonyms:1,1-Diethoxyhex-2-ene;EINECS 259-086-5;DTXSID90866410;AKOS030228109

Chemical Property of 1,1-Diethoxyhex-2-ene

Chemical Property:

• Vapor Pressure: 0.704mmHg at 25°C
• Refractive Index: n20/D 1.421(lit.)
• Boiling Point: 95-98°C35mm Hg(lit.)
• Flash Point: 145°F
• PSA: 18.46000
• Density: 0.848g/mLat 25°C(lit.)
• LogP: 2.74180
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 104

Purity/Quality:

98% ^*data from raw suppliers

2-HEXENAL DIETHYL ACETAL PREDOMINANTLY TRANS 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC=CC(OCC)OCC

Technology Process of 1,1-Diethoxyhex-2-ene

There total 1 articles about 1,1-Diethoxyhex-2-ene 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: 95.0%

2-hexenal (505-57-7) + orthoformic acid triethyl ester (122-51-0) → 1,1-diethoxyhex-2-ene (54306-00-2)

Guidance literature:

With cerium triflate; In ethanol; at 0 ℃; for 0.0833333h;

DOI:10.1246/cl.2009.96

Reference yield:

1,1-diethoxyhex-2-ene (54306-00-2) → (E)-2-Hexenal (6728-26-3) + (Z)-2-hexenal (16635-54-4)

Guidance literature:

With toluene-4-sulfonic acid; In water; acetone; at 0 ℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

upstream raw materials:

2-hexenal

orthoformic acid triethyl ester

Downstream raw materials:

(E)-2-Hexenal

(Z)-2-hexenal

Refernces

• 1、 Ono, Fumiaki,Inatomi, Yoshiko,Tada, Yuusuke,Mori, Masaki,Sato, Tsuneo. "A facile procedure for acetalization of aldehydes and ketones catalyzed by cerium(III) trifluoromethanesulfonate". experimental part. p. 96 - 97. Retrieved 2009/11/30.