2-Ethylhexyl carbamate

Base Information

• Chemical Name: 2-Ethylhexyl carbamate
• CAS No.: 4248-21-9
• Molecular Formula: C9H19NO2
• Molecular Weight: 173.29
• Hs Code.: 2924199090
• UNII: P9F832T70Q
• DSSTox Substance ID: DTXSID90962527
• Wikidata: Q27894414
• ChEMBL ID: CHEMBL2086998
• Mol file: 4248-21-9.mol

Synonyms:2-Ethylhexyl carbamate;4248-21-9;Carbamic acid, 2-ethylhexyl ester;BRN 1763420;P9F832T70Q;4-03-00-00060 (Beilstein Handbook Reference);2-ethylhexylcarba-mate;SCHEMBL467542;UNII-P9F832T70Q;CHEMBL2086998;DTXSID90962527;2-Ethylhexyl hydrogen carbonimidate;LS-49748;Q27894414

Chemical Property of 2-Ethylhexyl carbamate

Chemical Property:

• Vapor Pressure: 0.00718mmHg at 25°C
• Refractive Index: 1.4215 (estimate)
• Boiling Point: 269.6°Cat760mmHg
• Flash Point: 100.7°C
• PSA: 52.32000
• Density: 0.938g/cm³
• LogP: 2.99840
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 173.141578849
• Heavy Atom Count: 12
• Complexity: 126

Purity/Quality:

99%, ^*data from raw suppliers

2-Ethylhexylcarbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)COC(=O)N

Technology Process of 2-Ethylhexyl carbamate

There total 5 articles about 2-Ethylhexyl carbamate 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: 89.0%

2-Ethylhexyl chloroformate (24468-13-1) → 2-Ethyl-hex-1-yl-carbamat (4248-21-9)

Guidance literature:

With ammonia; In tetrahydrofuran; water; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/jo8025737

Reference yield: 86.0%

2-Ethylhexyl alcohol (104-76-7) + sodium isocyanate (917-61-3) → 2-Ethyl-hex-1-yl-carbamat (4248-21-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 5h;

DOI:10.1021/jm201751x

Reference yield:

phosgene (75-44-5) + 2-Ethylhexyl alcohol (104-76-7) → 2-Ethyl-hex-1-yl-carbamat (4248-21-9)

Guidance literature:

With toluene; und Eintragen des Reaktionsgemisches in konz.wss.NH₃ bei 5grad;

upstream raw materials:

phosgene

2-Ethylhexyl alcohol

urea

urethane

Downstream raw materials:

2-ethylhexyloxycarbonyl isocyanate

Refernces

• 1、 Tsuruoka, Ryoji,Nagamachi, Toshiki,Murakami, Yuta,Komatsu, Mitsuo,Minakata, Satoshi. "Aziridination of C60 with simple amides and catalytic rearrangement of the aziridinofullerenes to azafulleroids". supporting information; experimental part. p. 1691 - 1697. Retrieved 2009/07/30.