2-Ethylhexyl (5-isocyanato-2-methylphenyl)-carbamate

Base Information

• Chemical Name: 2-Ethylhexyl (5-isocyanato-2-methylphenyl)-carbamate
• CAS No.: 68938-61-4
• Molecular Formula: C17H24 N2 O3
• Molecular Weight: 304.38406
• European Community (EC) Number: 273-133-7
• UNII: 5JD40SSZ8W
• DSSTox Substance ID: DTXSID10892039
• Nikkaji Number: J332.768J
• Wikidata: Q27262433
• Mol file: 68938-61-4.mol

Synonyms:68938-61-4;5JD40SSZ8W;2-Ethylhexyl (5-isocyanato-2-methylphenyl)-carbamate;EINECS 273-133-7;2-Ethylhexyl (2-methyl-5-isocyanatophenyl)carbamate;N-(3-Isocyanato-6-methylphenyl)-2-ethylhexyl carbamate;Carbamic acid, (5-isocyanato-2-methylphenyl)-, 2-ethylhexyl ester;Carbamic acid, N-(5-isocyanato-2-methylphenyl)-, 2-ethylhexyl ester;2-Ethylhexyl N-(2-methyl-5-isocyanatophenyl)carbamate;UNII-5JD40SSZ8W;DTXSID10892039;GP-110A;2-ETHYLHEXYL (M-ISOCYANATOTOLYL)CARBAMATE;2-Ethylhexyl (5-isocyanato-2-methylphenyl)carbamate;Q27262433;(5-ISOCYANATO METHYLPHENYL)-2-ETHYLHEXYL CARBAMATE;(5-ISOCYANATO-2-METHYLPHENYL)-2-ETHYLHEXYL CARBAMATE;(5-Isocyanato-2-methylphenyl)carbamic acid 2-ethylhexyl ester

Chemical Property of 2-Ethylhexyl (5-isocyanato-2-methylphenyl)-carbamate

Chemical Property:

• Vapor Pressure: 5.95E-06mmHg at 25°C
• Boiling Point: 379.2°C at 760 mmHg
• Flash Point: 183.1°C
• PSA: 71.25000
• Density: 1.06g/cm³
• LogP: 4.74080
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 304.17869263
• Heavy Atom Count: 22
• Complexity: 380

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)COC(=O)NC1=C(C=CC(=C1)N=C=O)C