123-44-4

Basic information

• Product Name: 2.2.4-TRIMETHYL-1-PENTANOL
• Synonyms: 2,2,4-TRIMETHYLPENTAN-1-OL;2,2,4-TRIMETHYL-1-PENTANOL;2,2,4-trimethyl-1-pentano;2,2,4-Trimethylpentanol;2,2,4-Trimethylpentane-1-ol
• CAS NO: 123-44-4
• Molecular Formula: C₈H₁₈O
• Molecular Weight: 130.26
• EINECS: 204-628-8
• Mol File: 123-44-4.mol
• Article Data: 5

Chemical Properties

• Melting Point: -70°C
• Boiling Point: 165°C
• Flash Point: 56.6 °C
• Appearance: /
• Density: 0.8340
• Vapor Pressure: 0.961mmHg at 25°C
• Refractive Index: 1.4280
• PKA: 15.17±0.10(Predicted)
• CAS DataBase Reference: 2.2.4-TRIMETHYL-1-PENTANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 2.2.4-TRIMETHYL-1-PENTANOL(123-44-4)
• EPA Substance Registry System: 2.2.4-TRIMETHYL-1-PENTANOL(123-44-4)

Safety Data

• Hazardous Substances Data: 123-44-4(Hazardous Substances Data)

Usage

Uses

2,2,4-Trimethyl-1-pentanol is an aliphatic alcohol producing a fruity odor and used in the food industry as an additive.

InChI:InChI=1/C8H18O/c1-7(2)5-8(3,4)6-9/h7,9H,5-6H2,1-4H3

Upstream product

• 78-83-1 2-methyl-propan-1-ol 
• 540-84-1 2,2,4-trimethylpentane 
• 61067-15-0 2,2,4-Trimethyl-1-phenyl-pentanon-⁽¹⁾ 
• 69462-10-8 2,2,4-Trimethyl-valeriansaeurenitril 
• 91242-87-4 2,4,4,6-tetramethyl-heptan-3-one 
• 90227-07-9 2,2,4-trimethyl-valeric acid amide 
• 4100-09-8 1,3-diacetoxy-2,2,4-trimethyl-pentane 
• 144-19-4 2,2,4-trimethylpentan-1,3-diol 
• 67-56-1 methanol 
• 108-08-7 2,4-dimethylpentane 
• 866-72-8 2,2,4-trimethylpentanoic acid 
• 4194-23-4 acetic acid-(2,2,4-trimethyl-pent-3-enyl ester) 
• 39482-50-3 2,2,4-trimethylpent-4-enal 

Downstream Products

• 55290-87-4 2,2,4-Trimethylpentyl-N-naphthyl anthranilate 
• 55290-90-9 2,2,4-Trimethylamyl Anthranilate 
• 2371-06-4 1-chloro-2,2,4-trimethyl pentane 
• 55504-49-9 Phenyl-(2,2,4-trimethyl-pentyloxysulfonyl)-acetic acid 
• 13194-59-7 N,N-Dibutyl-O-<2,2,4-trimethyl-amyl>-isoharnstoff 

Relevant articles and documents

Oxidations catalyzed by osmium compounds. Part 1: Efficient alkane oxidation with peroxides catalyzed by an olefin carbonyl osmium(0) complex

A carbonyl osmium(0) complex with π-coordinated olefin, (2,3-η-1,4-diphenylbut-2-en-1,4-dione)undecacarbonyl triangulotriosmium (1), efficiently catalyzes oxygenation of alkanes (cyclohexane, cyclooctane, n-heptane, isooctane, etc.) with hydrogen peroxide, as well as with tert-butyl hydroperoxide and meta-chloroperoxybenzoic acid in acetonitrile solution. Alkanes are oxidized to corresponding alcohols, ketones (aldehydes) and alkyl hydroperoxides. Thus, heating cyclooctane with the 1-H2O2 combination at 70 °C gave products with turnover number as high as 2400 after 6 h. The maximum obtained yield of all products was equal to 20% based on cyclohexane and 30% based on H2O2. The oxidation of linear and branched alkanes exhibits very low regio- and bond-selectivity parameters and this testifies that the reaction proceeds via attack of hydroxyl radicals on C-H bonds of the alkane. The oxygenation products were not formed when the reaction was carried out under argon atmosphere and it can be thus concluded that the oxygenation occurs via the reaction between alkyl radicals and atmospheric oxygen. In summary, the Os(0) complex is much more powerful generator of hydroxyl radicals than any soluble derivative of iron (which is an analogue of osmium in the Periodic System).

Hydrocarbon Oxidations with Hydrogen Peroxide Catalyzed by a Soluble Polymer-Bound Manganese(IV) Complex with 1,4,7-Triazacyclononane

Soluble manganese(IV) complexes with polymer-bound 1,4,7-triazacyclononanes as ligands (compound 2) catalyze the oxidation of alkanes by hydrogen peroxide in acetonitrile at room and lower temperatures. The corresponding alkyl hydroperoxides are the main products. The presence of a relatively small amount of acetic acid is obligatory for this reaction. The oxidation of alkanes and olefins exhibits some features (kinetic isotope effect, bond selectivities) that distinguish this system from an analogous one based on the dinuclear Mn(IV) complex 1.