1,8-Diacetoxyoctane

Base Information

• Chemical Name: 1,8-Diacetoxyoctane
• CAS No.: 3992-48-1
• Molecular Formula: C12H22 O4
• Molecular Weight: 230.304
• Hs Code.: 2915390090
• DSSTox Substance ID: DTXSID00410645
• Nikkaji Number: J704.352J
• Wikidata: Q82216848
• Mol file: 3992-48-1.mol

Synonyms:1,8-Diacetoxyoctane;3992-48-1;8-acetyloxyoctyl Acetate;1,8-Octanediol Diacetate;octane-1,8-diyl diacetate;Octamethylene Diacetate;8-(acetyloxy)octyl acetate;SCHEMBL8607908;DTXSID00410645;MFCD01861294;AKOS024390895;CS-0452126;O0275;D91854

Chemical Property of 1,8-Diacetoxyoctane

Chemical Property:

• Refractive Index: 1.4330-1.4360
• Boiling Point: 128 °C / 1mmHg
• Flash Point: 139.5oC
• PSA: 52.60000
• Density: 0.99
• LogP: 2.45320
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 230.15180918
• Heavy Atom Count: 16
• Complexity: 179

Purity/Quality:

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

1,8-Diacetoxyoctane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCCCCCCCCOC(=O)C

Technology Process of 1,8-Diacetoxyoctane

There total 10 articles about 1,8-Diacetoxyoctane 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: 90.0%

1,8-Octanediol (629-41-4) + acetic acid (64-19-7,77671-22-8) → 1,8-octanediyl diacetate (3992-48-1)

Guidance literature:

With ZrCl₄-Mg(ClO₄)₂ composite; In neat (no solvent); at 20 ℃; for 0.166667h;

DOI:10.1002/bkcs.12481

Reference yield: 85.0%

1,8-Octanediol (629-41-4) + acetic anhydride (108-24-7) → 1,8-octanediyl diacetate (3992-48-1)

Guidance literature:

With lithium chloride; for 3h; Ambient temperature;

DOI:10.1080/00397919908086233

Reference yield: 60.0%

vinyl acetate (108-05-4,9003-20-7) + 1,8-Octanediol (629-41-4) → 1,8-octanediyl diacetate (3992-48-1) + 8-hydroxyoctan-1-ol acetate (40646-17-1)

Guidance literature:

With Thermomyces lanuginosus lipase; In di-isopropyl ether; at 25 ℃;

DOI:10.1016/j.tetlet.2004.05.001

upstream raw materials:

acetic acid

lead(IV) tetraacetate

1,7-Octadiene

1,12-dodecadicarboxylic acid monoethyl ester

Downstream raw materials:

1,8-Octanediol

8-hydroxyoctan-1-ol acetate

oct-7-en-1-yl acetate

1,7-Octadiene

Refernces

• 1、 Alam, Mohammad Mujahid,Atkore, Sandeep T.,Kamble, Vinod T.,Varala, Ravi. "ZrCl4-Mg(ClO4)2: Highly efficient bimetallic catalyst for acetylation of alcohol with acetic acid". . . Retrieved 2022/01/31.
• 2、 Framis, Victoria,Camps, Francisco,Clapés, Pere. "Lipase-catalysed selective monoacylation of 1,n-diols with vinyl acetate". . p. 5031 - 5033. Retrieved 2007/10/03.