1,2-Octanediyl diacetate

Base Information

• Chemical Name: 1,2-Octanediyl diacetate
• CAS No.: 22007-56-3
• Molecular Formula: C12H22 O4
• Molecular Weight: 230.304
• Hs Code.: 2915390090
• European Community (EC) Number: 244-715-8
• DSSTox Substance ID: DTXSID40944611
• Nikkaji Number: J225.512J
• Mol file: 22007-56-3.mol

Synonyms:1,2-Octanediyl diacetate;22007-56-3;octane-1,2-diyl diacetate;1,2-Diacetoxyoctane;1,2-Octanediol, diacetate;SCHEMBL6683371;DTXSID40944611;EINECS 244-715-8;AI3-13061

Chemical Property of 1,2-Octanediyl diacetate

Chemical Property:

• Vapor Pressure: 0.0027mmHg at 25°C
• Boiling Point: 286.1°Cat760mmHg
• Flash Point: 130.7°C
• PSA: 52.60000
• Density: 0.984g/cm³
• LogP: 2.45160
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 230.15180918
• Heavy Atom Count: 16
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(COC(=O)C)OC(=O)C

Technology Process of 1,2-Octanediyl diacetate

There total 19 articles about 1,2-Octanediyl diacetate 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: 99.0%

1,2-octandiol (1117-86-8) + acetic anhydride (108-24-7) → 1,2-octanediol diacetate (22007-56-3)

Guidance literature:

In acetic acid; at 20 ℃; for 12h;

DOI:10.1021/ja110805b

Reference yield: 94.0%

oct-1-ene (111-66-0,25068-25-1) + [bis(acetoxy)iodo]benzene (3240-34-4) + acetic anhydride (108-24-7) + acetic acid (64-19-7,77671-22-8) → 1,2-octanediol diacetate (22007-56-3)

Guidance literature:

With boron trifluoride diethyl etherate; at 20 ℃; for 8h;

DOI:10.1021/jo201752y

Reference yield: 90.0%

oct-1-ene (111-66-0,25068-25-1) + acetic anhydride (108-24-7) → 1,2-octanediol diacetate (22007-56-3)

Guidance literature:

oct-1-ene; With trifluorormethanesulfonic acid; iodomesitylene; dihydrogen peroxide; acetic anhydride; In acetic acid; at 20 ℃; for 24h;

acetic anhydride; In acetic acid; at 20 ℃;

DOI:10.1021/ol301311e

upstream raw materials:

oct-1-ene

lead(IV) tetraacetate

1,2-octandiol

acetic anhydride

Refernces

• 1、 -. "Method for preparing amino alcohol derivative". Paragraph 0093; 0094; 0095. . Retrieved 2018/11/22.
• 2、 Aertker, Kristina,Rama, Raquel J.,Opalach, Julita,Mu?iz, Kilian. "Vicinal Difunctionalization of Alkenes under Iodine(III) Catalysis involving Lewis Base Adducts". supporting information. p. 1290 - 1294. Retrieved 2017/04/18.