Benzyl [1-Hydroxy-2-(Hydroxymethyl)-4-(4-Octylphenyl)-2-Butanyl]Carbamate
[CAS# 402616-41-5]

Identification

• Name: Benzyl [1-Hydroxy-2-(Hydroxymethyl)-4-(4-Octylphenyl)-2-Butanyl]Carbamate
• Synonyms: [1,1-Bis(hydroxymethyl)-3-(4-octylphenyl)propyl]carbamic acid Phenylmethyl Ester; 2-(Benzyloxycarbonyl)amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol; 2-(Benzyloxycarbonyl)amino-2-[2-(4-octylphenyl)-ethyl]propane-1,3-diol
• Molecular Formula: C₂₇H₃₉NO₄
• Molecular Weight: 441.60
• CAS Registry Number: 402616-41-5
• SMILES: O=C(OCc1ccccc1)NC(CCc2ccc(cc2)CCCCCCCC)(CO)CO
• InChI: 1S/C27H39NO4/c1-2-3-4-5-6-8-11-23-14-16-24(17-15-23)18-19-27(21-29,22-30)28-26(31)32-20-25-12-9-7-10-13-25/h7,9-10,12-17,29-30H,2-6,8,11,18-22H2,1H3,(H,28,31)
• InChIKey: WHZSMGMWROULJR-UHFFFAOYSA-N

Properties

• Density: 1.091g/cm³ (Cal.)
• Boiling point: 624.714°C at 760 mmHg (Cal.)
• Flash point: 331.615°C (Cal.)
• Refractive index: 1.551 (Cal.)