1,5-Diacetoxypentane

Base Information

• Chemical Name: 1,5-Diacetoxypentane
• CAS No.: 6963-44-6
• Molecular Formula: C9H16 O4
• Molecular Weight: 188.224
• Hs Code.: 2915390090
• European Community (EC) Number: 230-161-4
• NSC Number: 53781
• UNII: G4MN8HY4EY
• DSSTox Substance ID: DTXSID80884345
• Nikkaji Number: J266.005I
• Wikidata: Q72462519
• Mol file: 6963-44-6.mol

Synonyms:1,5-Diacetoxypentane;6963-44-6;1,5-Pentanediol diacetate;5-acetyloxypentyl acetate;Pentamethylene acetate;Pentane-1,5-diyl diacetate;1,5-Pentanediol, diacetate;1,5-Pentanediol, 1,5-diacetate;1,5-diacetoxy-pentane;G4MN8HY4EY;EINECS 230-161-4;NSC 53781;NSC-53781;AI3-06263;Pentamethylene Diacetate;starbld0018528;UNII-G4MN8HY4EY;5-(Acetyloxy)pentyl acetate #;SCHEMBL9190720;DTXSID80884345;NSC53781;MFCD00014985;AKOS015913369;CS-0319552;FT-0606947;P1238

Chemical Property of 1,5-Diacetoxypentane

Chemical Property:

• Vapor Pressure: 0.027mmHg at 25°C
• Melting Point: 2°C
• Refractive Index: n20/D 1.427(lit.)
• Boiling Point: 246.5 ºC at 760 mmHg
• Flash Point: 114.1 ºC
• PSA: 52.60000
• Density: 1.022 g/cm³
• LogP: 1.28290
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 188.10485899
• Heavy Atom Count: 13
• Complexity: 147

Purity/Quality:

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

1,5-Diacetoxypentane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1,5-Diacetoxypentane

There total 21 articles about 1,5-Diacetoxypentane 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%

1 ,5-pentanediol (111-29-5) + acetic anhydride (108-24-7) → 1,5-diacetoxypentane (6963-44-6)

Guidance literature:

With iodine; at 25 ℃; for 0.0166667h;

DOI:10.1016/j.tetlet.2004.04.076

Reference yield: 95.0%

1 ,5-pentanediol (111-29-5) + acetic acid (64-19-7,77671-22-8) → 1,5-diacetoxypentane (6963-44-6)

Guidance literature:

With cobalt(II) chloride; at 60 ℃; for 14h;

DOI:10.1016/j.tet.2005.01.006

Reference yield: 93.0%

Acetyl bromide (506-96-7) + C43H40O2 → 1,5-diacetoxypentane (6963-44-6)

Guidance literature:

In 1,2-dichloro-ethane; at 20 ℃; for 1h;

DOI:10.1055/s-2003-37641

upstream raw materials:

TETRAHYDROPYRANE

acetic anhydride

acetyl chloride

1,5-dibromo-pentane

Downstream raw materials:

1,4-Pentadiene

1 ,5-pentanediol

5-iodopentyl acetate

5-chloropentyl acetate

Refernces

• 1、 Zhu, Shanhui,Gao, Xiaoqing,Dong, Fang,Zhu, Yulei,Zheng, Hongyan,Li, Yongwang. "Design of a highly active silver-exchanged phosphotungstic acid catalyst for glycerol esterification with acetic acid". . p. 155 - 163. Retrieved 2013/09/02.
• 2、 Rahmatpour, Ali. "Polystyrene-supported GaCl3: A new, highly efficient and recyclable heterogeneous Lewis acid catalyst for acetylation and benzoylation of alcohols and phenols". . p. 1048 - 1054. Retrieved 2013/02/22.