5162-48-1

Basic information

• Product Name: 2,2,4-TRIMETHYL-3-PENTANOL
• Synonyms: 2,2,4-trimethylpentan-3-ol;Einecs 225-939-5;3-Pentanol, 2,2,4-trimethyl-;2,2,4-TRIMETHYL-3-PENTANOL;2,2,4-TRIMETHYLPENTANOL-3
• CAS NO: 5162-48-1
• Molecular Formula: C₈H₁₈O
• Molecular Weight: 130.23
• EINECS: 225-939-5
• Mol File: 5162-48-1.mol
• Article Data: 9

Chemical Properties

• Melting Point: -11.3°C
• Boiling Point: 148.85°C
• Flash Point: 50°C
• Appearance: /
• Density: 0.8280
• Vapor Pressure: 4.28E-06mmHg at 25°C
• Refractive Index: 1.4270
• PKA: 15.17±0.20(Predicted)
• CAS DataBase Reference: 2,2,4-TRIMETHYL-3-PENTANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2,4-TRIMETHYL-3-PENTANOL(5162-48-1)
• EPA Substance Registry System: 2,2,4-TRIMETHYL-3-PENTANOL(5162-48-1)

Safety Data

• Hazardous Substances Data: 5162-48-1(Hazardous Substances Data)

Usage

Uses

2,2,4-Trimethyl-3-pentanol was identified in Barringtonia acutangula leaves and bark extracts.

InChI:InChI=1/C13H16N2O2/c1-13(2,3)15-11-8-6-4-5-7-9(8)17-12(16)10(11)14/h4-7,15H,14H2,1-3H3

Upstream product

• 5857-36-3 2,2,4-trimethylpentanone 
• 1068-55-9 isopropylmagnesium chloride 
• 677-22-5 tert-butylmagnesium chloride 
• 920-39-8 isopropylmagnesium bromide 
• 3282-30-2 pivaloyl chloride 
• 60-29-7 diethyl ether 
• 630-19-3 pivalaldehyde 
• 78-84-2 isobutyraldehyde 
• 79-30-1 isobutyryl chloride 
• 507-20-0 tertiary butyl chloride 
• 540-84-1 2,2,4-trimethylpentane 
• 75-84-3 2,2-dimethyl-propanol-1 
• 75-97-8 3,3-dimethyl-butan-2-one 
• 547-63-7 Methyl isobutyrate 

Downstream Products

• 5162-48-1 (S)-2,2,4-trimethyl-pentan-3-ol 
• 107-39-1 2,4,4-trimethyl-1-pentene 
• 107-40-4 2,4,4-trimethylpent-2-ene 
• 101100-53-2 benzoic acid-((R)-1-isopropyl-2,2-dimethyl-propyl ester) 
• 565-77-5 2,3,4-trimethyl-2-pentene 
• 565-76-4 2,3,4-trimethyl-pent-1-ene 

Relevant articles and documents

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PROCESS FOR THE ISOMERIZATION OF 2,2,4,4-TETRAALKYLCYCLOBUTANE-1,3-DIOLS

Disclosed is a process for the isomerization of 2,2,4,4-tetraalkylcyclobutane-1,3-diols, such as 2,2,4,4-tetramethylcyclobutane-1,3-diol, by contacting the diol with a supported ruthenium catalyst in the presence of hydrogen at elevated pressures and temperatures. The process is carried under conditions in which there is no net production of 2,2,4,4-tetraalkylcyclobutane-1,3-diol. The process may be carried out in the presence or absence of a solvent and in the liquid or vapor phase.

Hydroperoxidation of alkanes with hydrogen peroxide catalyzed by aluminium nitrate in acetonitrile

The first example of alkane oxygenation with hydrogen peroxide catalyzed by a non-transition metal derivative (aluminium) is reported. Heating (70 °C) a solution of an alkane, RH, hydrogen peroxide (70% aqueous) and a catalytic amount of Al(NO3)3·9H2O in air for a few hours afforded the corresponding alkyl hydroperoxide, ROOH. With cyclooctane, the hydroperoxide yield attained 31% and the maximum turnover number was 150. It is proposed on the basis of measurements of the selectivity parameters for the oxidation of linear and branched alkanes and a kinetic study that the oxidation occurs with the participation of hydroxyl radicals.

Alkane oxygenation with H2O2 catalysed by FeCl 3 and 2,2′-bipyridine

The H2O2-FeCl3-bipy system in acetonitrile efficiently oxidises alkanes predominantly to alkyl hydroperoxides. Turnover numbers attain 400 after 1 h at 60°C. It has been assumed that bipy facilitates proton abstraction from a H2O2 molecule coordinated to the iron ion (these reactions are stages in the catalytic cycle generating hydroxyl radicals from the hydrogen peroxide). Hydroxyl radicals then attack alkane molecules finally yielding the alkyl hydroperoxide.