| | Identification | More |  | [Name] 
 Octadecyl isothiocyanate
 |  | [CAS] 
 2877-26-1
 |  | [Synonyms] 
 N-OCTADECYL ISOTHIOCYANATE
 OCTADECYL ISOTHIOCYANATE
 1-isothiocyanato-octadecan
 OCTADECYL ISOTHIOCYANATE 97%
 Octadecane, 1-isothiocyanato-
 |  | [EINECS(EC#)] 
 220-722-1
 |  | [Molecular Formula] 
 C19H37NS
 |  | [MDL Number] 
 MFCD00041124
 |  | [Molecular Weight] 
 311.57
 |  | [MOL File] 
 2877-26-1.mol
 | 
 | Chemical Properties | Back Directory |  | [Appearance] 
 WHITE TO BEIGE CRYSTALLINE LOW MELTING SOLID
 |  | [Melting point ] 
 29-33 °C
 |  | [Boiling point ] 
 140-142 °C(Press: 0.003 Torr)
 |  | [density ] 
 0.9772 (rough estimate)
 |  | [refractive index ] 
 1.5300 (estimate)
 |  | [InChI] 
 InChI=1S/C19H37NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3
 |  | [InChIKey] 
 VJIRSSFEIRFISD-UHFFFAOYSA-N
 |  | [SMILES] 
 C(N=C=S)CCCCCCCCCCCCCCCCC
 |  | [CAS DataBase Reference] 
 2877-26-1(CAS DataBase Reference)
 |  | [EPA Substance Registry System] 
 2877-26-1(EPA Substance)
 | 
 | Safety Data | Back Directory |  | [Hazard Codes ] 
 Xn
 |  | [Risk Statements ] 
 R36/37/38:Irritating to eyes, respiratory system and skin .
 R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
 |  | [Safety Statements ] 
 S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
 S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
 |  | [HazardClass ] 
 IRRITANT
 | 
 |  |