Ethyl hexylcarbamate

Base Information

• Chemical Name: Ethyl hexylcarbamate
• CAS No.: 7451-47-0
• Molecular Formula: C9H19 N O2
• Molecular Weight: 173.255
• NSC Number: 26961
• DSSTox Substance ID: DTXSID60282628
• Nikkaji Number: J245.893D
• Wikidata: Q82016954
• Mol file: 7451-47-0.mol

Synonyms:Ethyl hexylcarbamate;7451-47-0;n-Hexylurethan;NSC26961;SCHEMBL301987;DTXSID60282628;CTEPBUFYCZLELZ-UHFFFAOYSA-N;NSC-26961;AKOS003849402

Chemical Property of Ethyl hexylcarbamate

Chemical Property:

• Vapor Pressure: 0.0675mmHg at 25°C
• Boiling Point: 230°Cat760mmHg
• Flash Point: 92.9°C
• Density: 0.914g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 173.141578849
• 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: CCCCCCNC(=O)OCC

Technology Process of Ethyl hexylcarbamate

There total 11 articles about Ethyl hexylcarbamate 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: 96.0%

hexan-1-amine (111-26-2) + chloroformic acid ethyl ester (541-41-3) → N-hexylcarbamic acid ethyl ester (7451-47-0)

Guidance literature:

With zinc; In benzene; for 0.166667h; Ambient temperature;

DOI:10.1016/S0040-4039(98)00464-X

Reference yield: 81.0%

ethanol (64-17-5) + hexan-1-amine (111-26-2) + carbon monoxide (201230-82-2) → Ethyl hexanoate (123-66-0) + ethyl n-valerate (539-82-2) + ethyl heptanoate (106-30-9) + N-hexylcarbamic acid ethyl ester (7451-47-0)

Guidance literature:

With oxygen; Sulfate; zirconium(IV) oxide; palladium dichloride; at 170 ℃; for 3h; under 45003.6 Torr; Further byproducts given. Title compound not separated from byproducts;

DOI:10.1006/jcat.2001.3350

Reference yield: 80.0%

hexan-1-amine (111-26-2) + Diethyl carbonate (105-58-8,76619-83-5) → N-hexylcarbamic acid ethyl ester (7451-47-0)

Guidance literature:

With sodium hydride; In benzene; for 1.5h; Heating;

DOI:10.1080/00397919408010552

upstream raw materials:

hexan-1-amine

chloroformic acid ethyl ester

ethanol

carbon dioxide

Refernces

• 1、 Grecian, Scott,Desai, Pankaj,Mossman, Craig,Poutsma, Jennifer L.,Aube, Jeffrey. "Reactions of cyclopropanone acetals with alkyl azides: Carbonyl addition versus ring-opening pathways". . p. 9439 - 9447. Retrieved 2008/03/14.
• 2、 Shi, Feng,Deng, Youquan,SiMa, Tianlong,Yang, Hongzhou. "A novel PdCl2/ZrO2-SO42- catalyst for synthesis of carbamates by oxidative carbonylation of amines". . p. 525 - 528. Retrieved 2007/10/03.