1-(1,4-Benzodioxan-2-Yl)-1,2-Ethanediol 2-Isobutylcarbamate
[CAS# 13887-57-5]

Identification

• Name: 1-(1,4-Benzodioxan-2-Yl)-1,2-Ethanediol 2-Isobutylcarbamate
• Synonyms: [2-(2,3-Dihydro-1,4-Benzodioxin-2-Yl)-2-Hydroxy-Ethyl] N-Isobutylcarbamate; N-Isobutylcarbamic Acid [2-(2,3-Dihydro-1,4-Benzodioxin-2-Yl)-2-Hydroxyethyl] Ester; N-Isobutylcarbamic Acid [2-(2,3-Dihydro-1,4-Benzodioxin-2-Yl)-2-Hydroxy-Ethyl] Ester
• Molecular Formula: C₁₅H₂₁NO₅
• Molecular Weight: 295.33
• CAS Registry Number: 13887-57-5
• SMILES: C2=C1OCC(C(COC(NCC(C)C)=O)O)OC1=CC=C2
• InChI: 1S/C15H21NO5/c1-10(2)7-16-15(18)20-8-11(17)14-9-19-12-5-3-4-6-13(12)21-14/h3-6,10-11,14,17H,7-9H2,1-2H3,(H,16,18)
• InChIKey: LMWSHNLEYBZEOC-UHFFFAOYSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 452.095°C at 760 mmHg (Cal.)
• Flash point: 227.219°C (Cal.)