E-4-Hexen-1-ol

Base Information

• Chemical Name: E-4-Hexen-1-ol
• CAS No.: 6126-50-7
• Molecular Formula: C₆H₁₂O
• Molecular Weight: 100.161
• European Community (EC) Number: 213-187-0
• NSC Number: 409218
• UNII: 780WMA6J84
• DSSTox Substance ID: DTXSID10883609
• Nikkaji Number: J126.475C
• Wikidata: Q27266624
• Metabolomics Workbench ID: 44911
• Mol file: 6126-50-7.mol

Synonyms:NSC 409218;

Chemical Property of E-4-Hexen-1-ol

Chemical Property:

• Vapor Pressure: 0.929mmHg at 25°C
• Melting Point: 22.55°C (estimate)
• Refractive Index: 1.442
• Boiling Point: 158.5 °C at 760 mmHg
• Flash Point: 59.9 °C
• PSA: 20.23000
• Density: 0.843 g/cm³
• LogP: 1.33500
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 100.088815002
• Heavy Atom Count: 7
• Complexity: 48.1

Purity/Quality:

4-Hexen-1-ol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CCCCO
• Isomeric SMILES: C/C=C\CCCO
• Description: 4-Hexen-l-ol has a pungent oily odor. May be synthesized by treating cis- and frans-3-chloro-2-methyl-tetrahydropyrone with sodium in ether.

Technology Process of E-4-Hexen-1-ol

There total 29 articles about E-4-Hexen-1-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: 92.5%

2,4-hexadiene-1-ol (111-28-4) → (Z)-3-Hexen-1-ol (928-96-1) + (E)-3-hexen-1-ol (928-97-2) + hex-4-en-1-ol (6126-50-7,928-91-6,928-92-7) + hexan-1-ol (111-27-3)

Guidance literature:

With hydrogen; (methyl benzoate)Cr(CO)6; In methanol; at 190 - 200 ℃; for 2h; under 36775.4 Torr;

Reference yield: 46.0%

6,8-dioxa-bicyclo[3.2.1]oct-2-ene (27925-22-0) → 5-Hexen-1-ol (821-41-0) + (E)-hex-2-ene-1,6-diol (63974-05-0) + hex-4-en-1-ol (6126-50-7,928-91-6,928-92-7)

Guidance literature:

With lithium aluminium tetrahydride; In 1,2-dimethoxyethane; for 150h; Heating;

Reference yield: 38.0%

Sorbyl alcohol (17102-64-6) → 2-hexen-1-ol (2305-21-7) + hex-4-en-1-ol (6126-50-7,928-91-6,928-92-7) + hexan-1-ol (111-27-3)

Guidance literature:

With ammonium chloride; In methanol; Electrochemical reaction;

DOI:10.1016/S0040-4039(03)01035-9

upstream raw materials:

6,8-dioxa-bicyclo[3.2.1]oct-2-ene

hex-4-enoic acid ethyl ester

C₈H₁₉NO₂

3-(phenylthio)but-1-ene

Downstream raw materials:

pentacarbonyl{(4-hexen-1-yloxy)(phenyl)carbene}chromium⁽⁰⁾

2-ethyltetrahydrofuran

1,7-heptandiol

heptane-1,6-diol

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