cis-2-Hexen-1-ol

Base Information

• Chemical Name: cis-2-Hexen-1-ol
• CAS No.: 928-94-9
• Molecular Formula: C6H12O
• Molecular Weight: 100.161
• Hs Code.: 29052900
• European Community (EC) Number: 213-190-7
• UNII: 871TEL510E
• DSSTox Substance ID: DTXSID20883610
• Nikkaji Number: J126.435D
• Wikidata: Q1093153
• Metabolomics Workbench ID: 3205
• Mol file: 928-94-9.mol

Synonyms:(Z)-hex-2-en-1-ol;(Z)-hex-3-en-1-ol;(Z)-hex-4-en-1-ol;hex-4-en-1-ol

Chemical Property of cis-2-Hexen-1-ol

Chemical Property:

• Appearance/Colour: colorless liquid
• Vapor Pressure: 0.873mmHg at 25°C
• Melting Point: 59.63°C
• Refractive Index: n20/D 1.441(lit.)
• Boiling Point: 159.6 °C at 760 mmHg
• PKA: 14.45±0.10(Predicted)
• Flash Point: 61.7 °C
• PSA: 20.23000
• Density: 0.843 g/cm³
• LogP: 1.33500
• Storage Temp.: Flammables area
• XLogP3: 1.4
• 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:

98%,99%, ^*data from raw suppliers

cis-2-Hexen-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38-36
• Safety Statements: 16-37/39-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC=CCO
• Isomeric SMILES: CCC/C=C\CO
• Uses: cis-2-Hexen-1-ol is used in the invention of a repellent for Oryzaephilus surinamensis.

Technology Process of cis-2-Hexen-1-ol

There total 16 articles about cis-2-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: 98.0%

hex-2-yn-1-ol (764-60-3) → (Z)-2-hexen-1-ol (928-94-9) + hexan-1-ol (111-27-3)

Guidance literature:

With hydrogen; In tetrahydrofuran; at 30 ℃; for 6h; under 760.051 Torr;

DOI:10.1002/anie.201207845

Reference yield: 94.0%

hex-2-yn-1-ol (764-60-3) → (Z)-2-hexen-1-ol (928-94-9)

Guidance literature:

With hydrogen; In ethanol; at 20 ℃; for 5.5h; under 760.051 Torr;

DOI:10.1021/acscatal.5b02518

Reference yield: 91.0%

(Z)-2-hexenal (16635-54-4) → (Z)-2-hexen-1-ol (928-94-9)

Guidance literature:

With sodium tetrahydroborate; In methanol; at -10 ℃; for 5h;

DOI:10.1080/00397919608004635

upstream raw materials:

hex-2-yn-1-ol

2-methyl-4,7-dihydro-1,3-dioxepine

ethylmagnesium bromide

1-hexene

Downstream raw materials:

2-Hexenyl chloride

cis-5-hydroxymethyl-3-phenyl-4-propyl-4,5-dihydroisoxazole

(Z)-hexenyl p-toluenesulfinate

(4S,5R)-O-<(Z)-hex-2-enyl> 3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carboximidate