6963-44-6

Basic information

• Product Name: 1,5-Diacetoxypentane
• Synonyms: 1,5-PENTANEDIOL DIACETATE;1,5-DIACETOXYPENTANE;TIMTEC-BB SBB007746;PENTAMETHYLENE DIACETATE;PENTANEDIOL DIACETATE;5-(Acetyloxy)pentyl acetate;Pentamethylene acetate;pentane-1,5-diyl diacetate
• CAS NO: 6963-44-6
• Molecular Formula: C₉H₁₆O₄
• Molecular Weight: 188.22
• EINECS: 230-161-4
• Mol File: 6963-44-6.mol
• Article Data: 20

Chemical Properties

• Melting Point: 2°C
• Boiling Point: 122 °C12 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.033 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.027mmHg at 25°C
• Refractive Index: n20/D 1.427(lit.)
• CAS DataBase Reference: 1,5-Diacetoxypentane(CAS DataBase Reference)
• NIST Chemistry Reference: 1,5-Diacetoxypentane(6963-44-6)
• EPA Substance Registry System: 1,5-Diacetoxypentane(6963-44-6)

Safety Data

• WGK Germany: 3
• TSCA: Yes
• Hazardous Substances Data: 6963-44-6(Hazardous Substances Data)

Usage

General Description

1,5-Diacetoxypentane is a chemical compound that is also known by its IUPAC name, pentanedioic acid, diacetate. It is a colorless liquid with a molecular formula of C7H12O4. 1,5-Diacetoxypentane is used as a chemical intermediate in the synthesis of pharmaceuticals, fragrances, and other organic compounds. It is also used as a solvent and in research applications. 1,5-Diacetoxypentane is considered to have low toxicity and is not expected to have significant environmental impacts. However, it should be handled and stored with care due to its flammability and potential to cause irritation to the skin and eyes.

InChI:InChI=1/C9H16O4/c1-8(10)12-6-4-3-5-7-13-9(2)11/h3-7H2,1-2H3

Upstream product

• 15848-22-3 5-bromo-1-pentanyl acetate 
• 127-09-3 sodium acetate 
• 111-29-5 1 ,5-pentanediol 
• 141-78-6 ethyl acetate 
• 506-96-7 Acetyl bromide 
• 68750-23-2 5-acetoxy-1-pentanol 
• 108-24-7 acetic anhydride 
• 109-67-1 1-penten 
• 98-01-1 furfural 
• 142-68-7 TETRAHYDROPYRANE 
• 64-19-7 acetic acid 
• 108-05-4 vinyl acetate 
• 76102-74-4 5-(tetrahydro-2H-pyran-2-yloxy)pentan-1-ol 
• 628-76-2 1,5-dichloropentane 

Downstream Products

• 591-93-5 1,4-Pentadiene 
• 111-29-5 1 ,5-pentanediol 
• 68750-23-2 5-acetoxy-1-pentanol 
• 20395-28-2 5-chloropentyl acetate 
• 65921-65-5 5-iodopentyl acetate 

Relevant articles and documents

Lipase-mediated selective acetylation of primary alcohols in ethyl acetate

An environmental friendly process to selectively acetylate primary alcohols was demonstrated. The esterification process consists of treatment of a primary alcohol in the presence of immobilized C. antarctica lipase (Novozyme-435) in ethyl acetate at room temperature. Primary alcohols were acetylated in the presence of secondary alcohols and phenols.

Iron(III) tosylate catalyzed acylation of alcohols, phenols, and aldehydes

Iron(III) p-toluenesulfonate (tosylate) is an efficient catalyst for acetylation of alcohols, phenols, and aldehydes. The acetylation of 1° and 2° alcohols, diols, and phenols proceeded smoothly with 2.0 mol % of catalyst. However, the reaction worked well with only a few 3° alcohols. The methodology was also applicable to the synthesis of a few benzoate esters but required the use of 5.0 mol % catalyst. Aldehydes could also be converted into the corresponding 1,1-diesters (acylals) under the reaction conditions. Iron(III) tosylate is an inexpensive, and easy to handle, commercially available catalyst.

Organocatalytic chemoselective monoacylation of 1,n-linear diols

Matters of length: Exclusive or predominant monoacylation of 1,n-linear diols took place in the presence of 1 when the chain length of linear diols was equal to or shorter than five carbon atoms. The chemoselectivity of acylation between 1,5-pentanediol (n=5) and 1,6-hexanediol (n=6) was 5.2, and that between 1,5-pentanediol and its monoacylate was 113. Copyright