10250-47-2

Basic information

• Product Name: 3-methylpentan-3-yl acetate
• Synonyms: 3-Methylpentan-3-yl acetate; 3-pentanol, 3-methyl-, acetate
• CAS NO: 10250-47-2
• Molecular Formula: C₈H₁₆O₂
• Molecular Weight: 144.2114
• Mol File: 10250-47-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 147.999°C at 760 mmHg
• Flash Point: 39.053°C
• Density: 0.879g/cm³
• Vapor Pressure: 4.309mmHg at 25°C
• Refractive Index: 1.412
• CAS DataBase Reference: 3-methylpentan-3-yl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 3-methylpentan-3-yl acetate(10250-47-2)
• EPA Substance Registry System: 3-methylpentan-3-yl acetate(10250-47-2)

Safety Data

• Hazardous Substances Data: 10250-47-2(Hazardous Substances Data)

Upstream product

• 64-19-7 acetic acid 
• 73153-92-1 (1R,2S)-1,2-Dimethylbutylamin 

Relevant articles and documents

Solvent effects in deamination reactions

Nitrous acid deaminations of (S)-2-butanamine, (2R,3S)-3-methyl-2-pentanamine (8), cyclopropananmine (17) and 4,4-dimethyl-2-adamantanamine (30) have been studied in water and in a series of carboxylic acids of decreasing polarity (acetic, 3,3-dimethylbutyric, 2-ethylhexanoic acid).The stereochemistry of aqueous deaminations varies from predominant inversion to predominant retention, depending upon the structure of the substrate (steric hindrance, neighbouring-group participation, etc.).In carboxylic acid media, alcohols arise with predominant retention, i.e. by front-side attack of the "internal" nucleophile (water).Inverting displacement of nitrogen by the "external" nucleophile (carboxylic acid/carboxylate) increases with decreasing polarity of the solvent.Even cyclopropanamine yields cyclopropyl esters (2-10percent) of inverted configuration, as shown with the aid of deuterium labels.Current mechanistic concepts are modified to account for these results.