2-Ethylhexyl nitrite

Base Information

• Chemical Name: 2-Ethylhexyl nitrite
• CAS No.: 1653-42-5
• Molecular Formula: C8H17 N O2
• Molecular Weight: 159.228
• European Community (EC) Number: 216-727-3
• DSSTox Substance ID: DTXSID80937062
• Nikkaji Number: J195.287K
• Mol file: 1653-42-5.mol

Synonyms:2-Ethylhexyl nitrite;1653-42-5;EINECS 216-727-3;SCHEMBL1645525;Nitrous acid 2-ethylhexyl ester;DTXSID80937062

Chemical Property of 2-Ethylhexyl nitrite

Chemical Property:

• Vapor Pressure: 1.69mmHg at 25°C
• Boiling Point: 173.5°C at 760 mmHg
• Flash Point: 42.7°C
• PSA: 38.66000
• Density: 0.94g/cm³
• LogP: 2.90080
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 159.125928785
• Heavy Atom Count: 11
• Complexity: 96.1

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)CON=O

Technology Process of 2-Ethylhexyl nitrite

There total 2 articles about 2-Ethylhexyl nitrite 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:

2-Ethylhexyl alcohol (104-76-7) → 3-nitrosyloxymethyl-heptane (1653-42-5)

Guidance literature:

With hydrogenchloride; sodium nitrite;

Reference yield:

→ 3-nitrosyloxymethyl-heptane (1653-42-5)

Guidance literature:

2-Ethyl-hexan-1-ol, NaNO2, W., 5n-HCl;

Reference yield:

3-nitrosyloxymethyl-heptane (1653-42-5) + 2-Ethylhexyl alcohol (104-76-7) + 1,2-diamino-benzene (95-54-5) → 1,2,3-Benzotriazole (95-14-7,27556-51-0)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In water; pyrographite;

upstream raw materials:

2-Ethylhexyl alcohol

Downstream raw materials:

1,2,3-Benzotriazole