2-Ethyl-6-(1-Methylpropyl)Phenyl Isothiocyanate
[CAS# 66609-02-7]

Identification

• Name: 2-Ethyl-6-(1-Methylpropyl)Phenyl Isothiocyanate
• Synonyms: 1-Ethyl-2-Isothiocyanato-3-Sec-Butyl-Benzene; 1-Ethyl-2-Isothiocyanato-3-Sec-Butylbenzene; 1-Butan-2-Yl-3-Ethyl-2-Isothiocyanato-Benzene
• Molecular Formula: C₁₃H₁₇NS
• Molecular Weight: 219.34
• CAS Registry Number: 66609-02-7
• SMILES: S=C=NC1=C(C=CC=C1CC)C(C)CC
• InChI: 1S/C13H17NS/c1-4-10(3)12-8-6-7-11(5-2)13(12)14-9-15/h6-8,10H,4-5H2,1-3H3
• InChIKey: VXVNYWWOXYECKU-UHFFFAOYSA-N

Properties

• Density: 0.979g/cm³ (Cal.)
• Boiling point: 322.882°C at 760 mmHg (Cal.)
• Flash point: 155.706°C (Cal.)