4-[[(1,1-Dimethylethyl)Amino]Acetyl]-1,2-Phenylene Di-p-Toluate
[CAS# 47749-96-2]

Identification

• Name: 4-[[(1,1-Dimethylethyl)Amino]Acetyl]-1,2-Phenylene Di-p-Toluate
• Synonyms: [5-[2-(Tert-Butylamino)Acetyl]-2-(4-Methylbenzoyl)Oxy-Phenyl] 4-Methylbenzoate; 4-Methylbenzoic Acid [5-[2-(Tert-Butylamino)-1-Oxoethyl]-2-[(4-Methylphenyl)-Oxomethoxy]Phenyl] Ester; 4-Methylbenzoic Acid [5-[2-(Tert-Butylamino)Acetyl]-2-(4-Methylbenzoyl)Oxy-Phenyl] Ester
• Molecular Formula: C₂₈H₂₉NO₅
• Molecular Weight: 459.54
• CAS Registry Number: 47749-96-2
• EINECS: 256-333-9
• SMILES: C2=C(OC(C1=CC=C(C=C1)C)=O)C(=CC=C2C(CNC(C)(C)C)=O)OC(C3=CC=C(C=C3)C)=O
• InChI: 1S/C28H29NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,29H,17H2,1-5H3
• InChIKey: BKHHMEFQCZTOSJ-UHFFFAOYSA-N

Properties

• Density: 1.163g/cm³ (Cal.)
• Boiling point: 636.249°C at 760 mmHg (Cal.)
• Flash point: 338.592°C (Cal.)