1-Isopropyl-3-Tert-Butyl-5-Methylbenzene
[CAS# 29577-19-3]

Identification

• Name: 1-Isopropyl-3-Tert-Butyl-5-Methylbenzene
• Synonyms: 1-Tert-Butyl-3,5-Diethyl-Benzene; 5-(Tert-Butyl)-M-Cymene
• Molecular Formula: C₁₄H₂₂
• Molecular Weight: 190.33
• CAS Registry Number: 29577-19-3
• SMILES: C1=C(C(C)(C)C)C=C(C=C1CC)CC
• InChI: 1S/C14H22/c1-6-11-8-12(7-2)10-13(9-11)14(3,4)5/h8-10H,6-7H2,1-5H3
• InChIKey: ISMIPBZQDCUHAO-UHFFFAOYSA-N

Properties

• Density: 0.858g/cm³ (Cal.)
• Boiling point: 234.639°C at 760 mmHg (Cal.)
• Flash point: 88.297°C (Cal.)