(3,5-Ditert-Butylphenyl) N-Methylcarbamate
[CAS# 2655-19-8]

Identification

• Name: (3,5-Ditert-Butylphenyl) N-Methylcarbamate
• Synonyms: N-Methylcarbamic Acid (3,5-Ditert-Butylphenyl) Ester; 3,5-Bis(1,1-Dimethylethyl)Phenol Methylcarbamate; 3,5-Di-T-Butylphenylmethylcarbamate
• Molecular Formula: C₁₆H₂₅NO₂
• Molecular Weight: 263.38
• CAS Registry Number: 2655-19-8
• SMILES: C1=C(C=C(C=C1C(C)(C)C)C(C)(C)C)OC(=O)NC
• InChI: 1S/C16H25NO2/c1-15(2,3)11-8-12(16(4,5)6)10-13(9-11)19-14(18)17-7/h8-10H,1-7H3,(H,17,18)
• InChIKey: SLZWBCGZQRRUNG-UHFFFAOYSA-N

Properties

• Density: 0.978g/cm³ (Cal.)
• Boiling point: 313.547°C at 760 mmHg (Cal.)
• Flash point: 143.428°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493