3-Tert-Butylphenol
[CAS# 28460-13-1]

Identification

• Name: 3-Tert-Butylphenol
• Synonyms: N,N-Dipentylcarbamic Acid (3-Tert-Butylphenyl) Ester; N,N-Diamylcarbamic Acid (3-Tert-Butylphenyl) Ester; N,N-Dipentylcarbamic Acid 3-Tert-Butylphenyl Ester
• Molecular Formula: C₂₁H₃₅NO₂
• Molecular Weight: 333.51
• CAS Registry Number: 28460-13-1
• SMILES: C1=C(OC(N(CCCCC)CCCCC)=O)C=CC=C1C(C)(C)C
• InChI: 1S/C21H35NO2/c1-6-8-10-15-22(16-11-9-7-2)20(23)24-19-14-12-13-18(17-19)21(3,4)5/h12-14,17H,6-11,15-16H2,1-5H3
• InChIKey: JPCXGUJJYTYJGI-UHFFFAOYSA-N

Properties

• Density: 0.954g/cm³ (Cal.)
• Boiling point: 416.572°C at 760 mmHg (Cal.)
• Flash point: 205.736°C (Cal.)