21981-48-6

Basic information

• Product Name: 1-Methylbutyl nitrate
• Synonyms: 1-Methylbutyl nitrate;2-Nitrooxypentane;Nitric acid pentan-2-yl ester
• CAS NO: 21981-48-6
• Molecular Formula: C₅H₁₁NO₃
• Molecular Weight: 0
• Mol File: 21981-48-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: 0°C
• Boiling Point: 155.66°C (estimate)
• Flash Point: 48.9°C
• Appearance: /
• Density: 1.0493 (estimate)
• Vapor Pressure: 5.55mmHg at 25°C
• Refractive Index: 1.4073 (estimate)
• CAS DataBase Reference: 1-Methylbutyl nitrate(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Methylbutyl nitrate(21981-48-6)
• EPA Substance Registry System: 1-Methylbutyl nitrate(21981-48-6)

Safety Data

• Hazardous Substances Data: 21981-48-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C5H11NO3/c1-3-4-5(2)9-6(7)8/h5H,3-4H2,1-2H3

Upstream product

• 109-66-0 pentane 

Relevant articles and documents

Formation of Organic Nitro-compounds in Flowing H2O2+NO2+N2+Organic Vapour Systems. Part 2.-H2O2+NO2+N2+Alkane System

The principal products from the surface-initiated reactions in flowing mixtures of H2O2, NO2,N2 and RH, where RH=ethane, propane, n-butane and n-pentane, have been identified as the nitroalkane, alkyl nitrite and alkyl nitrate.The product yields have been measured; in the case of propane the variation of the yields with total gas pressure has also been studied.Values have been obtained for the relative rates of primary and secondary H-atom abstraction from each alkane by OH and for the rate-constant ratios k3/k4 and k5/k6 at 298 K:.The trends in the product yields with the variation of pressure and change of R indicate that RO radicals are produced via reactions (4)-(6) rather than by a single-step reaction of R with NO2.