19549-71-4

Basic information

• Product Name: 2,3-DIMETHYL-3-HEPTANOL
• Synonyms: 2,3-DIMETHYL-3-HEPTANOL;N-BUTYL ISOPROPYL METHYL CARBINOL;2,3-Dimethylheptan-3-ol
• CAS NO: 19549-71-4
• Molecular Formula: C₉H₂₀O
• Molecular Weight: 144.25
• Mol File: 19549-71-4.mol
• Article Data: 3

Chemical Properties

• Melting Point: 6.15°C (estimate)
• Boiling Point: 173°C
• Flash Point: 70°C
• Appearance: /
• Density: 0,83 g/cm3
• Vapor Pressure: 0.407mmHg at 25°C
• Refractive Index: 1.4340
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 15.24±0.29(Predicted)
• CAS DataBase Reference: 2,3-DIMETHYL-3-HEPTANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3-DIMETHYL-3-HEPTANOL(19549-71-4)
• EPA Substance Registry System: 2,3-DIMETHYL-3-HEPTANOL(19549-71-4)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 19549-71-4(Hazardous Substances Data)

Usage

General Description

2,3-DIMETHYL-3-HEPTANOL is a chemical compound with the molecular formula C9H20O. It is a colorless liquid with a mild, fruity odor. This chemical is used as a solvent in the production of pharmaceuticals and perfumes, as well as a flavoring agent in food and beverage products. It is also used as an intermediate in the synthesis of other chemicals and as an additive in the formulation of various consumer products. 2,3-DIMETHYL-3-HEPTANOL is considered to be a relatively low-toxicity compound, with no significant health hazards identified in its use.

InChI:InChI=1/C9H20O/c1-5-6-7-9(4,10)8(2)3/h8,10H,5-7H2,1-4H3/t9-/m0/s1

Upstream product

• 563-80-4 3-methyl-butan-2-one 
• 109-72-8 n-butyllithium 
• 201230-82-2 carbon monoxide 
• 591-78-6 n-hexan-2-one 
• 920-39-8 isopropylmagnesium bromide 
• 693-03-8 n-butyl magnesium bromide 

Relevant articles and documents

Synthesis of α-Hydroxy Ketones by Direct, Low-Temperature, in Situ Nucleophilic Acylation of Aldehydes and Ketones by Acyllithium Reagents

The reaction of n-, sec-, and tert-butyllithium with CO at atmospheric pressure at -110 and -135 deg C in the appropriate solvent system in the presence of ketones and aldehydes generates the acyllithium, RC(O)Li, which reacts with the carbonyl compound to give the α-hydroxy ketone, generally in good yield.Reactions with aldehydes are limited in scope, working well with the t-BuLi-derived acyllithium reagents, but not with n-BuC(O)Li.

Cp2TiCl2-catalyzed grignard reactions. 2. Reactions with ketones and aldehydes

The reaction of Grignard reagents with ketones or aldehydes in the presence of a catalytic amount of Cp2TiCl2 leads to the corresponding reduction products in high yields. Cp2TiH intermediate was proposed to account for this observation.