Avocadene 1-acetate

Base Information

• Chemical Name: Avocadene 1-acetate
• CAS No.: 24607-09-8
• Molecular Formula: C19H36O4
• Molecular Weight: 328.48700
• DSSTox Substance ID: DTXSID00394411
• Nikkaji Number: J322.796K
• Wikidata: Q82193777
• Metabolomics Workbench ID: 44670
• ChEMBL ID: CHEMBL1443413
• Mol file: 24607-09-8.mol

Synonyms:2,4-dihydroxy-HDEAc;2,4-dihydroxyheptadec-16-enyl acetate

Chemical Property of Avocadene 1-acetate

Chemical Property:

• Vapor Pressure: 3.92E-10mmHg at 25°C
• Boiling Point: 453.6oC at 760 mmHg
• Flash Point: 148.6oC
• PSA: 66.76000
• Density: 0.976g/cm3
• LogP: 4.13850
• Storage Temp.: ?20°C
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 17
• Exact Mass: 328.26135963
• Heavy Atom Count: 23
• Complexity: 291

Purity/Quality:

99% ^*data from raw suppliers

2,4-dihydroxyheptadec-16-enyl acetate ≥95% (LC/MS-ELSD) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(CC(CCCCCCCCCCCC=C)O)O
• Uses: Avocadene Acetate is a lipid derivative from avocado (Persea americana) pulp with antiplatelet and antithrombotic activities.

Technology Process of Avocadene 1-acetate

There total 2 articles about Avocadene 1-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:

avocadyne acetate (24607-06-5) → avocadene acetate (24607-09-8)

Guidance literature:

With hydrogen; Pd-BaSO₄; In pyridine;

DOI:10.1016/S0040-4020(01)83005-2

Reference yield:

→ avocadene acetate (24607-09-8)

Guidance literature:

DOI:10.1021/jf60182a019

Reference yield:

avocadene acetate (24607-09-8) → 1,2,4-trihydroxy-heptadeca-16-ene (83797-45-9)

Guidance literature:

With methanol; potassium hydroxide;

DOI:10.1016/S0040-4020(01)83005-2

upstream raw materials:

avocadyne acetate

Downstream raw materials:

1,2,4-trihydroxy-heptadeca-16-ene