Octyl nitrite

Base Information

• Chemical Name: Octyl nitrite
• CAS No.: 629-46-9
• Molecular Formula: C8H17 N O2
• Molecular Weight: 159.228
• European Community (EC) Number: 211-092-9
• UNII: 2QM6EQS1YF
• DSSTox Substance ID: DTXSID3060875
• Nikkaji Number: J96.522G
• Wikidata: Q27255485
• Mol file: 629-46-9.mol

Synonyms:OCTYL NITRITE;Nitrous acid, octyl ester;629-46-9;UNII-2QM6EQS1YF;2QM6EQS1YF;EINECS 211-092-9;1-octyl nitrite;N-OCTYL NITRITE;Nitrous acid octyl ester;SCHEMBL294422;DTXSID3060875;AKOS006287590;Q27255485

Chemical Property of Octyl nitrite

Chemical Property:

• Vapor Pressure: 1.65mmHg at 25°C
• Boiling Point: 174°C at 760 mmHg
• Flash Point: 43.1°C
• Density: 0.94g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 159.125928785
• Heavy Atom Count: 11
• Complexity: 86.2

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCON=O

Technology Process of Octyl nitrite

There total 14 articles about Octyl 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: 100.0%

9,10-Bis(octyloxy)-1,4:5,8-dimethano-1,2,3,4,5,6,7,8-octahydroanthracene (157870-43-4) → octyl nitrite (629-46-9) + 1,4:5,8-dimethano-1,2,3,4,5,6,7,8-octahydro-9,10-anthraquinone (93433-97-7)

Guidance literature:

With Nitrogen dioxide; In dichloromethane; for 0.0833333h; Ambient temperature;

Reference yield: 95.0%

octanol (111-87-5) → octyl nitrite (629-46-9)

Guidance literature:

With triphenylphosphine; tetrabutylammonium nitrite; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; for 22h; Heating;

DOI:10.1055/s-2004-829122

Reference yield: 91.0%

Octanethiol (111-88-6) → octyl nitrite (629-46-9)

Guidance literature:

With triphenylphosphine; tetrabutylammonium nitrite; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; for 28h; Heating;

DOI:10.1055/s-2004-829122

upstream raw materials:

octanol

1-Iodooctane

n-Octylamine

n-octyl acetate

Downstream raw materials:

octanol

n-octyl hexanoate

n-octyl benzoate

Refernces

• 1、 Hiegel, Gene A.,Nguyen, Jeremiah,Zhou, Yan. "Preparation of alkyl nitrates, nitrites, and thiocyanates from alcohols utilizing trichloroisocyanuric acid with triphenylphosphine". . p. 2507 - 2511. Retrieved 2007/10/03.
• 2、 Brosch, Daniel,Kirmse, Wolfgang. "Micellar Effects in the Nitrous Acid Deamination Reaction of (R)-2H>-1-Octanamine". . p. 1118 - 1121. Retrieved 2007/10/02.