2-(2-Hydroxyethoxy)Ethanol, 2-Hydroxyethyl Prop-2-Enoate, 5-Isocyanato-1-(Isocyanatomethyl)-1,3,3-Trimethylcyclohexane, Oxepan-2-One
[CAS# 72162-39-1]

Identification

• Name: 2-(2-Hydroxyethoxy)Ethanol, 2-Hydroxyethyl Prop-2-Enoate, 5-Isocyanato-1-(Isocyanatomethyl)-1,3,3-Trimethylcyclohexane, Oxepan-2-One
• Synonyms: 2-(2-Hydroxyethoxy)Ethanol; 2-Hydroxyethyl Prop-2-Enoate; 5-Isocyanato-1-(Isocyanatomethyl)-1,3,3-Trimethyl-Cyclohexane; Oxepan-2-One; 2-(2-Hydroxyethoxy)Ethanol; 5-Isocyanato-1-(Isocyanatomethyl)-1,3,3-Trimethylcyclohexane
• Molecular Formula: C₂₇H₄₆N₂O₁₀
• Molecular Weight: 558.67
• CAS Registry Number: 72162-39-1
• SMILES: O=C=NC1CC(CC(C1)(C)C)(CN=C=O)C.C2C(OCCCC2)=O.C(OC(=O)C=C)CO.C(OCCO)CO
• InChI: 1S/C12H18N2O2.C6H10O2.C5H8O3.C4H10O3/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15;7-6-4-2-1-3-5-8-6;1-2-5(7)8-4-3-6;5-1-3-7-4-2-6/h10H,4-7H2,1-3H3;1-5H2;2,6H,1,3-4H2;5-6H,1-4H2
• InChIKey: RZMIWFHYYLEIDD-UHFFFAOYSA-N

Properties

• Boiling point: 286.9°C at 760 mmHg (Cal.)
• Flash point: 116°C (Cal.)