16325-63-6

Basic information

• Product Name: 2,4,4-TRIMETHYL-1-PENTANOL
• Synonyms: 1-Pentanol, 2,4,4-trimethyl-;2,4,4-TRIMETHYL-1-PENTANOL;2,4,4-trimethylpentan-1-ol;(2R)-2,4,4-TRIMETHYLPENTAN-1-OL;2,4,4-TRIMETHYL-1-PENTANOL 98%;2,4,4-Trimethyl-1-pentanol,98%
• CAS NO: 16325-63-6
• Molecular Formula: C₈H₁₈O
• Molecular Weight: 130.23
• EINECS: 240-403-0
• Product Categories: Alcohols;C7 to C8;Oxygen Compounds
• Mol File: 16325-63-6.mol
• Article Data: 8

Chemical Properties

• Melting Point: -61.15°C (estimate)
• Boiling Point: 168-169 °C740 mm Hg(lit.)
• Flash Point: 140 °F
• Appearance: /
• Density: 0.818 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.502mmHg at 25°C
• Refractive Index: n20/D 1.427(lit.)
• PKA: 15.03±0.10(Predicted)
• CAS DataBase Reference: 2,4,4-TRIMETHYL-1-PENTANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,4-TRIMETHYL-1-PENTANOL(16325-63-6)
• EPA Substance Registry System: 2,4,4-TRIMETHYL-1-PENTANOL(16325-63-6)

Safety Data

• Safety Statements: 24/25
• RIDADR: UN 1987 3/PG 3
• WGK Germany: 3
• HazardClass: 3.2
• PackingGroup: III
• Hazardous Substances Data: 16325-63-6(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless liquid

General Description

2,4,4-Trimethyl-1-pentanol is the principal metabolite of 2,2,4-trimethylpentane. Phase equilibria of 2,4,4-trimethyl-1-pentanol in supercritical carbon dioxide has been investigated.

InChI:InChI=1/C8H18O/c1-7(6-9)5-8(2,3)4/h7,9H,5-6H2,1-4H3/t7-/m0/s1

Upstream product

• 107-48-2 2-methyl-2-neopentyl-oxirane 
• 107-39-1 2,4,4-trimethyl-1-pentene 
• 5375-28-0 2-neopentyl-acrylaldehyde 
• 107-40-4 2,4,4-trimethylpent-2-ene 
• 16216-31-2 tris(2,4,4-trimethylpentyl)aluminum 
• 50-00-0 formaldehyd 
• 540-84-1 2,2,4-trimethylpentane 
• 1221966-61-5 2,4,4-trimethylpentyl 2-azido-2-(naphthalen-2-yl)acetate 
• 3851-87-4 bis(3,5,5-trimethylhexanoyl) peroxide 
• 5340-42-1 2,4,4-trimethyl-valeryl chloride 
• 677-22-5 tert-butylmagnesium chloride 
• 60-29-7 diethyl ether 
• 60302-30-9 ethyl 2,4,4-trimethylpentanoate 

Downstream Products

• 68134-07-6 isooctyl glycidyl ether 
• 155388-95-7 5-Amino-2-hydroxy-benzoic acid 2,4,4-trimethyl-pentyl ester 
• 17414-46-9 2,4,4-trimethylpentanal 
• 155388-65-1 2-Hydroxy-5-nitro-benzoic acid 2,4,4-trimethyl-pentyl ester 

Relevant articles and documents

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Generation of iminyl copper species from α-azido carbonyl compounds and their catalytic C-C bond cleavage under an oxygen atmosphere

Figure presented A copper-catalyzed reaction of α-azidocarbonyl compounds under an oxygen atmosphere is reported where nitriles are formed via C-C bond cleavage of a transient iminyl copper intermediate. The transformation is carried out by a sequence of denitrogenative formation of iminyl copper species from α-azidocarbonyl compounds and their C-C bond cleavage, where molecular oxygen (1 atm) is a prerequisite to achieve the catalytic process and one of the oxygen atoms of O2 was found to be incorporated into the β-carbon fragment as a carboxylic acid.

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.