Amyl nitrate

Base Information

• Chemical Name: Amyl nitrate
• CAS No.: 1002-16-0
• Molecular Formula: C5H11NO3
• Molecular Weight: 133.147
• Hs Code.: 2920909090
• European Community (EC) Number: 213-684-2
• UN Number: 1112
• UNII: Z77A64H8TF
• DSSTox Substance ID: DTXSID2058708
• Wikipedia: Amyl_nitrate
• Wikidata: Q415199
• Mol file: 1002-16-0.mol

Synonyms:amyl nitrate;pentyl nitrate

Chemical Property of Amyl nitrate

Chemical Property:

• Vapor Pressure: 3.55mmHg at 25°C
• Melting Point: -123.2°C
• Refractive Index: 1.42
• Boiling Point: 157.498 °C at 760 mmHg
• Flash Point: 56.753 °C
• PSA: 55.05000
• Density: 1.023 g/cm³
• LogP: 1.90810
• Water Solubility.: Insoluble in water
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 133.07389321
• Heavy Atom Count: 9
• Complexity: 78.8
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98%min ^*data from raw suppliers

PentylNitrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrates and Nitrites
• Canonical SMILES: CCCCCO[N+](=O)[O-]
• Uses: Additive to increase cetane number of diesel fuels.

Technology Process of Amyl nitrate

There total 7 articles about Amyl 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: 92.0%

pentan-1-ol (71-41-0) → amyl nitrate (1002-16-0)

Guidance literature:

With nitric acid; urea; europium(III) trifluoromethanesulfonate; In cyclohexane; at 85 ℃; for 8h; Schlenk technique;

DOI:10.1039/d0ob01519a

Reference yield:

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + 1-cyano-1-methylethylnitrate (40561-27-1) + sodium pentanolate (1941-84-0) → amyl nitrate (1002-16-0) + α-hydroxy-isobutyric acid pentyl ester (38771-96-9)

Guidance literature:

und anschliessenden Behandeln mit wss.Salzsaeure;

DOI:10.1021/ja01622a073

Reference yield:

amyl iodide (628-17-1) → amyl nitrate (1002-16-0)

Guidance literature:

With nitric acid; at -10 ℃;

upstream raw materials:

tetrahydrofuran

1-cyano-1-methylethylnitrate

sodium pentanolate

pentan-1-ol

Downstream raw materials:

phenylcyanonitromethane potassium nitronate

2-methoxy-6-nitroaniline

6-methyl-2,4-dinitrophenol

Nitrogen dioxide

Refernces

• 1、 Buttery, Ron G.,Takeoka, Gary R.. "Some unusual minor volatile components of tomato". . p. 6264 - 6266. Retrieved 2004.
• 2、 Treves, Keren,Shragina, Lea,Rudich, Yinon. "Rate coefficients for the reactions of Cl atoms with a series of C3-C6 hydroxyalkyl nitrates at 296 ± 2 K". . p. 5902 - 5907. Retrieved 2002.
• 3、 Schneider, Manfred,Ballschmiter, Karlheinz. "Separation of Diastereomeric and Enantiomeric Alkyl Nitrates - Systematic Approach to Chiral Discrimination on Cyclodextrin LIPODEX-D". . p. 539 - 544. Retrieved 2007/10/03.