761-40-0

Basic information

• Product Name: heptan-4-yl hydroperoxide
• Synonyms: 4-Hydroperoxy-n-heptane; Heptan-4-yl hydroperoxide; hydroperoxide, 1-propylbutyl
• CAS NO: 761-40-0
• Molecular Formula: C₇H₁₆O₂
• Molecular Weight: 132.2007
• Mol File: 761-40-0.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 196.3°C at 760 mmHg
• Flash Point: 72.5°C
• Density: 0.891g/cm³
• Vapor Pressure: 0.103mmHg at 25°C
• Refractive Index: 1.422
• CAS DataBase Reference: heptan-4-yl hydroperoxide(CAS DataBase Reference)
• NIST Chemistry Reference: heptan-4-yl hydroperoxide(761-40-0)
• EPA Substance Registry System: heptan-4-yl hydroperoxide(761-40-0)

Safety Data

• Hazardous Substances Data: 761-40-0(Hazardous Substances Data)

Upstream product

• 142-82-5 n-heptane 
• 67764-22-1 4-heptylmethane sulphonate 
• 7722-84-1 dihydrogen peroxide 
• 123-19-3 4-heptanone 

Downstream Products

• 123-19-3 4-heptanone 
• 5921-84-6 heptyl-4-acetate 
• 589-55-9 heptan-4-ol 
• 40646-07-9 heptane-1,4-diol 
• 143-08-8 nonyl alcohol 

Relevant articles and documents

Copper-catalyzed remote sp3 C-H chlorination of alkyl hydroperoxides

A copper-catalyzed methodology to functionalize remote sp3 C-H bonds in alkyl hydroperoxides is presented. The atom-transfer chlorination utilizes simple ammonium chloride salts as the chlorine source, and the internal redox process requires no external redox reagents.

Oxidations by the reagent "O2-H2O2-vanadium derivative-pyrazine-2-carboxylic acid". Part 12. Main features, kinetics and mechanism of alkane hydroperoxidation

Various combinations of vanadium derivatives (n-Bu4NVO3 is the best catalyst) with pyrazine-2-carboxylic acid (PCA) catalyse the oxidation of saturated hydrocarbons, RH, with hydrogen peroxide and air in acetonitrile solution to produce, at temperatures V(PCA)(H2O2) → VIV(PCA) + HOO. + H+. The VIV species thus formed reacts further with a second H2O2 molecule to generate the hydroxyl radical according to the equation VIV(PCA) + H2O2 → VV(PCA) + HO. + HO-. The concentration of the active species in the course of the catalytic process has been estimated to be as low as [V(PCA)H2O2] ≈ 3.3 × 10-6 mol dm-3. The effective rate constant for the cyclohexane oxidation (d[ROOH]/dt = keff[H2O2]0[V]0) is keff = 0.44 dm3 mol-1 s-1 at 40 °C, the effective activation energy is 17 ± 2 kcal mol-1. It is assumed that the accelerating role of PCA is due to its facilitating the proton transfer between the oxo and hydroxy ligands of the vanadium complex on the one hand and molecules of hydrogen peroxide and water on the other hand. For example: (pca)(O=)V ... H2O2 → (pca)(HO-)V-OOH. Such a "robot's arm mechanism" has analogies in enzyme catalysis.