762-46-9

Basic information

• Product Name: 2-hydroperoxyheptane
• Synonyms: 2-hydroperoxyheptane;(1-Methylhexyl) hydroperoxide;1-Methylhexyl hydroperoxide
• CAS NO: 762-46-9
• Molecular Formula: C₇H₁₆O₂
• Molecular Weight: 0
• Mol File: 762-46-9.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 196.3°C at 760 mmHg
• Flash Point: 72.5°C
• Appearance: /
• Density: 0.891g/cm³
• Vapor Pressure: 0.103mmHg at 25°C
• Refractive Index: 1.422
• CAS DataBase Reference: 2-hydroperoxyheptane(CAS DataBase Reference)
• NIST Chemistry Reference: 2-hydroperoxyheptane(762-46-9)
• EPA Substance Registry System: 2-hydroperoxyheptane(762-46-9)

Safety Data

• Hazardous Substances Data: 762-46-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H16O2/c1-3-4-5-6-7(2)9-8/h7-8H,3-6H2,1-2H3

Upstream product

• 142-82-5 n-heptane 

Downstream Products

• 52390-72-4 2-Heptanol 
• 70444-25-6 heptane-2,5-diol 
• 143-08-8 nonyl alcohol 
• 1001-89-4 2-chloroheptane 
• 110-43-0 n-pentyl methyl ketone 
• 5921-82-4 heptan-2-yl acetate 

Relevant articles and documents

Hydroperoxidation of methane and other alkanes with H2O2 catalyzed by a dinuclear iron complex and an amino acid

The compound [Fe2(HPTB)(μ-OH)(NO3)2](NO3) 2·CH3OH·2H2O (1) containing a dinuclear iron(III) complex in which HPTB=N,N,N′,N′-tetrakis(2-benzimidazolylmethyl)-2-hydroxo-1,3- diaminopropane catalyzes the oxidation of alkanes with hydrogen peroxide in acetonitrile solution at room temperature only if certain amino acids (pyrazine-2-carboxylic, pyrazine-2,3-dicarboxylic or picolinic acid) are added to the reaction mixture. Alkyl hydroperoxides are formed as main reaction products. The turnover numbers attain 140 for cyclohexane, 21 for ethane and four for methane oxidation. The oxidation proceeds non-stereoselectively and bond selectivity parameters are low which testifies the participation of hydroxyl radicals in alkane functionalization.

Oxidation with the "O2-H2O2-VO3 --pyrazine-2-carboxylic acid" reagent: 6. * Oxidation of n-heptane and cyclohexane. Direct determination of alkyl hydroperoxides by gas-liquid chromatography

n-Heptane is readily oxidized in acetonitrile under the action of H2O2 with a "vanadate anion-pyrazine-2-carboxylic acid" system as the catalyst in air to form isomeric heptyl hydroperoxides (detected by GLC) along with isomeric heptanols and heptanones. Heptyl hydroperoxides slowly decompose at low temperature yielding the corresponding alcohols and ketones (aldehyde). The values of the parameter of the relative normalized reactivity of the H atoms at the carbon atoms in positions 1, 2, 3, and 4 depend on the reaction time and concentrations of the reagents. The value of the parameter of selectivity C(1) : C(2) : C(3) : C(4) varies in the range from 1.0 : 2.8 : 2.9 : 1.8 to 1.0 : 5.6 : 5.9 : 5.3. The low selectivity of the reaction shows that the key role is played by the attack of highly reactive radical particles on the C-H bond of the alkane molecule.