Pentan-2-yl nitrate

Base Information

• Chemical Name: Pentan-2-yl nitrate
• CAS No.: 21981-48-6
• Molecular Formula: C5H11 N O3
• Molecular Weight: 133.147
• Hs Code.: 2920909090
• DSSTox Substance ID: DTXSID50873564
• Mol file: 21981-48-6.mol

Synonyms:1-Methylbutyl nitrate;21981-48-6;Pentan-2-yl nitrate;2-pentyl nitrate;2-Pentanol, nitrate;1-Methylbutyl nitrate #;n-C3H7CH(CH3)NO3;SCHEMBL3286639;DTXSID50873564;RWRBSYOTDDOXKC-UHFFFAOYSA-N;AKOS040768270

Chemical Property of Pentan-2-yl nitrate

Chemical Property:

• Vapor Pressure: 5.55mmHg at 25°C
• Melting Point: 0°C
• Refractive Index: 1.4073 (estimate)
• Boiling Point: 147.6°C at 760 mmHg
• Flash Point: 48.9°C
• PSA: 55.05000
• Density: 1.019g/cm³
• LogP: 1.90650
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 133.07389321
• Heavy Atom Count: 9
• Complexity: 88.7

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)O[N+](=O)[O-]

Technology Process of Pentan-2-yl nitrate

There total 2 articles about Pentan-2-yl nitrate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

pentane (109-66-0,8031-35-4,9078-70-0) → amyl nitrate (1002-16-0) + 2-pentyl nitrate (21981-48-6) + 3-nitrooxy-pentane (82944-59-0)

Guidance literature:

With methyl nitrite; ultra-zero air; nitrogen(II) oxide; at 25.9 ℃; for 0.333333h; Product distribution; Rate constant; Irradiation; other alkyl peroxy radical generator (Cl₂);

DOI:10.1021/j100220a022

Reference yield:

pentane (109-66-0,8031-35-4,9078-70-0) → 1-methylbutyl nitrite (5145-25-5) + n-Amyl nitrite (463-04-7) + 2-pentyl nitrate (21981-48-6) + 2-nitropentane (4609-89-6) + 3-nitrooxy-pentane (82944-59-0) + 1-nitropentane (628-05-7)

Guidance literature:

With dihydrogen peroxide; Nitrogen dioxide; at 24.9 ℃; under 300.02 Torr; Rate constant; Product distribution; Mechanism; boric-acid-coated surface; various pressure and carrier-gas composition;

DOI:10.1039/f19848000609

upstream raw materials:

pentane

Refernces

• 1、 Atkinson, Roger,Aschmann, Sara M.,Carter, William P. L.,Winer, Arthur M.,Pitts, James N.. "Alkyl Nitrate Formation from the NOx-Air Photooxidations of C2-C8 n-Alkanes". . p. 4563 - 4569. Retrieved 2007/10/02.