5-Hexenyl acetate

Base Information

• Chemical Name: 5-Hexenyl acetate
• CAS No.: 5048-26-0
• Molecular Formula: C8H14O2
• Molecular Weight: 142.198
• Hs Code.: 2915390090
• DSSTox Substance ID: DTXSID80336950
• Nikkaji Number: J118.143B
• Wikidata: Q82104459
• Mol file: 5048-26-0.mol

Synonyms:5-Hexenyl acetate;5048-26-0;hex-5-enyl acetate;Acetic acid 5-hexen-1-yl ester;hex-5-en-1-yl acetate;Acetic acid 5-hexenyl ester;ACETICACID5-HEXEN-1-YLESTER;5-Hexene-1-ol, acetate;Acetic acid 5-hexen-1-ylester;6-Acetoxy-1-hexene;5-Hexenyl acetate #;5-Hexenyl acetate, 97%;SCHEMBL649480;Acetic acid,5-hexen-1-ylester;DTXSID80336950;MFCD00060856;AKOS015903561;A1338;CS-0204797;FT-0623909;D88421

Chemical Property of 5-Hexenyl acetate

Chemical Property:

• Vapor Pressure: 0.866mmHg at 25°C
• Refractive Index: n20/D 1.423(lit.)
• Boiling Point: 173-174 °C(lit.)
• Flash Point: 141 °F
• PSA: 26.30000
• Density: 0.883 g/mL at 25 °C(lit.)
• LogP: 1.90580
• Water Solubility.: Insoluble in water, soluble in alcohol.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

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

5-Hexenyl Acetate ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCCCC=C
• Uses: (4E,7Z)-4,7-Tridecadienyl acetate,a component of the sex pheromone was synthesized from 5-hexenyl acetate. CM of 5-decene with 5-hexenyl acetate is used to produce the insect pheromone. Used in olefin cross metathesis.

Technology Process of 5-Hexenyl acetate

There total 4 articles about 5-Hexenyl acetate 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: 27.0%

hex-5-enyl hydroperoxide (86692-87-7) → 5-Hexen-1-ol (821-41-0) + hex-5-en-1-al (764-59-0) + 5-hexenyl acetate (5048-26-0)

Guidance literature:

With titanium(III) chloride; acetic acid; In water; for 2h;

Reference yield: 25.0%

hex-5-enyl hydroperoxide (86692-87-7) → 2-(chloromethyl)tetrahydropyran (18420-41-2,130233-13-5,130233-14-6) + 2-vinyltetrahydrofuran (1072-60-2) + 5-hexenyl acetate (5048-26-0) + 3-chloro-1-oxacycloheptane

Guidance literature:

With acetic acid; iron(II) chloride; In water; for 2h; Further byproducts given;

Reference yield:

1,6-diacetoxyhexane (6222-17-9) → 1,5-Hexadien (592-42-7) + 5-hexenyl acetate (5048-26-0)

Guidance literature:

at 440 ℃; Leiten ueber Glaswolle;

upstream raw materials:

1,6-diacetoxyhexane

hex-5-enyl hydroperoxide

Downstream raw materials:

5-Hexen-1-ol

Dodec-7-in-1-yl acetat

6-acetoxy-2-methyl-hexanal

acetic acid 7-oxo-heptyl ester

Refernces