Octylurea

Base Information

• Chemical Name: Octylurea
• CAS No.: 2158-10-3
• Molecular Formula: C9H20N2O
• Molecular Weight: 172.2679
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID30175932
• Nikkaji Number: J191.795A
• Wikidata: Q83046272
• Mol file: 2158-10-3.mol

Synonyms:Octylurea;Urea, octyl-;n-OCTYLUREA;2158-10-3;1-OCTYLUREA;BRN 1759386;AI3-61312;n-octyl urea;SCHEMBL81152;4-04-00-00758 (Beilstein Handbook Reference);SCHEMBL24063821;DTXSID30175932;AKOS006273230;LS-160587;F76770

Chemical Property of Octylurea

Chemical Property:

• Vapor Pressure: 0.0141mmHg at 25°C
• Boiling Point: 258°Cat760mmHg
• Flash Point: 109.8°C
• PSA: 56.11000
• Density: 0.922g/cm³
• LogP: 2.91990
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 172.157563266
• Heavy Atom Count: 12
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCNC(=O)N

Technology Process of Octylurea

There total 11 articles about Octylurea 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: 91.0%

n-octyl cyanamide (82485-54-9) → octylurea (2158-10-3)

Guidance literature:

With hydrogenchloride;

Reference yield: 90.0%

1-isocyanatooctane (3158-26-7) → octylurea (2158-10-3)

Guidance literature:

With ammonium hydroxide; for 3h;

DOI:10.1021/tx0001732

Reference yield:

n-Octylamine (111-86-4) + S-Methylisothiourea sulfate (867-44-7,147895-43-0) → octylurea (2158-10-3)

Guidance literature:

In ethanol; at 100 ℃; for 16h;

upstream raw materials:

n-Octylamine

bromocyane

nitrourea

1-isocyanatooctane

Refernces

• 1、 -. "TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF". Paragraph 00970-00971. . Retrieved 2021/12/08.
• 2、 Kim, Sung Hwan,Park, Bo Ram,Kim, Jae Nyoung. "An efficient hydration of cyanamides to substituted ureas with acetaldoxime as an effective water surrogate". scheme or table. p. 716 - 718. Retrieved 2012/01/06.