3639-22-3

Basic information

• Product Name: 2-Hydroxy-2-propyl-pentanoicacid
• Synonyms: 2-Hydroxy-2-propyl-pentanoicacid
• CAS NO: 3639-22-3
• Molecular Formula: C₈H₁₆O₃
• Molecular Weight: 160.21084
• Mol File: 3639-22-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 281.4°Cat760mmHg
• Flash Point: 138.2°C
• Appearance: /
• Density: 1.048g/cm³
• Vapor Pressure: 0.000423mmHg at 25°C
• Refractive Index: 1.464
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 2-Hydroxy-2-propyl-pentanoicacid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Hydroxy-2-propyl-pentanoicacid(3639-22-3)
• EPA Substance Registry System: 2-Hydroxy-2-propyl-pentanoicacid(3639-22-3)

Safety Data

• Hazardous Substances Data: 3639-22-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H16O3/c1-3-5-8(11,6-4-2)7(9)10/h11H,3-6H2,1-2H3,(H,9,10)

Upstream product

• 5455-24-3 octane-4,5-dione 
• 141-52-6 sodium ethanolate 
• 71-43-2 benzene 

Downstream Products

• 60218-41-9 valproate-2-en 
• 33786-53-7 (E)-2-Propyl-2-pentensaeure-(p-isopropylphenyl)ester 
• 123-19-3 4-heptanone 
• 33786-47-9 (E)-2-propyl-2-pentenoic acid 
• 33786-46-8 2(Z)-ene-Valproic acid 

Relevant articles and documents

Process for the preparation of E-2-propyl-2-pentenoic acid and physiologically compatible salts thereof

A novel process for the preparation of E-2-propyl-2-pentenoic acid and its physiologically compatible salts is described, in which di-n-propyl-ketone-cyanohydrin is used as the starting compound. The compound is either (a) dehydrated with thionyl chloride and the acid nitrile formed is subsequently saponified with a stoichiometric excess of potassium hydroxide, or (b) is initially converted into 2-hydroxy-2-propyl-pentanoic acid and the latter is subsequently dehydrated in the presence of a less than stoichiometric quantity of a tertiary amine at a temperature of at least 200° C. The free acid is optionally converted into the salt form, preferably using the corresponding salts of carbon dioxide in an aqueous acetone solution.