2-Ethylhexyl (3-isocyanatomethylphenyl)-carbamate

Base Information

• Chemical Name: 2-Ethylhexyl (3-isocyanatomethylphenyl)-carbamate
• CAS No.: 58240-57-6
• Deprecated CAS: 135656-83-6,1820998-55-7
• Molecular Formula: C17H24N2O3
• Molecular Weight: 304.43
• European Community (EC) Number: 259-265-8,261-180-6
• DSSTox Substance ID: DTXSID80886107
• Nikkaji Number: J296.908D
• Mol file: 58240-57-6.mol

Synonyms:54634-94-5;2-Ethylhexyl (3-isocyanatomethylphenyl)-carbamate;2-Ethylhexyl (3-isocyanatomethylphenyl)carbamate;Carbamic acid, (3-isocyanatomethylphenyl)-, 2-ethylhexyl ester;58240-57-6;2-Ethylhexyl(5-isocyanato-2(or 4)-methylphenyl)carbamate;Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester;EINECS 261-180-6;(3-Isocyanatomethylphenyl)carbamic acid, 2-ethylhexyl ester;EINECS 259-265-8;Toluenediisocyanate 2-ethylhexyl carbamate;UNII-BY90HXL3H1;EC 259-265-8;BY90HXL3H1;UNII-SFW3B76622;N-(3-Isocyanatomethylphenyl)-2-ethylhexyl carbamate;DTXSID80886107;SFW3B76622;Carbamic acid, (5-isocyanato-2(or 4)-methylphenyl)-, 2-ethylhexyl ester;2-Ethylhexyl(5-isocyanatomethylphenyl)carbamate;2-ethylhexyl (3-(isocyanatomethyl)phenyl)carbamate

Chemical Property of 2-Ethylhexyl (3-isocyanatomethylphenyl)-carbamate

Chemical Property:

• Vapor Pressure: 4.56E-06mmHg at 25°C
• Boiling Point: 382.9°Cat760mmHg
• Flash Point: 185.4°C
• PSA: 71.25000
• Density: 1.06g/cm³
• LogP: 4.30090
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 304.17869263
• Heavy Atom Count: 22
• Complexity: 367

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): A poison by ingestion and skin contact. A severe eye irritant.
• Hazard Codes: A poison by ingestion and skin contact. A severe eye irritant.

MSDS Files:

SDS file from LookChem

Useful:

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