2-Methyl-2-(1-Methylpropyl)-1,3-Propanediol Dicarbamate
[CAS# 64-55-1]

Identification

• Name: 2-Methyl-2-(1-Methylpropyl)-1,3-Propanediol Dicarbamate
• Synonyms: [2-(Carbamoyloxymethyl)-2,3-Dimethyl-Pentyl] Carbamate; Carbamic Acid [2-(Carbamoyloxymethyl)-2,3-Dimethylpentyl] Ester; Carbamic Acid [2-(Carbamoyloxymethyl)-2,3-Dimethyl-Pentyl] Ester
• Molecular Formula: C₁₀H₂₀N₂O₄
• Molecular Weight: 232.28
• CAS Registry Number: 64-55-1
• EINECS: 200-587-5
• SMILES: C(C(C(CC)C)(COC(N)=O)C)OC(N)=O
• InChI: 1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)
• InChIKey: LEROTMJVBFSIMP-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 92°C (Expl.)
• Boiling point: 435.0±28.0°C at 760 mmHg (Cal.)
• Flash point: 216.8±20.3°C (Cal.)

Safety Data

• Controlled Substance: DEA Drug Code Number: 2800

References

• (1): Yasser Gaber, Ulrika Törnvall, Cecilia Orellana-Coca, Magdy Ali Amin and Rajni Hatti-Kaul. Enzymatic synthesis of N-alkanoyl-N-methylglucamide surfactants: solvent-free production and environmental assessment, Green Chem., 2010, 12, 1817.