Ethyl N-(oxomethylene)methioninate
[CAS# 64505-12-0]

Identification

• Name: Ethyl N-(oxomethylene)methioninate
• Synonyms: 2-Isocyanato-4-(methylthio)butyric acid ethyl ester; ethyl 2-isocyanato-4-(methylthio)butyrate; Ethyl 2-isocyanato-4-methylthiobutyrate
• Molecular Formula: C₈H₁₃NO₃S
• Molecular Weight: 203.26
• CAS Registry Number: 64505-12-0
• SMILES: CCOC(=O)C(CCSC)N=C=O
• InChI: 1S/C8H13NO3S/c1-3-12-8(11)7(9-6-10)4-5-13-2/h7H,3-5H2,1-2H3
• InChIKey: IWXRXGRHXXLVHJ-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 286.6±35.0°C at 760 mmHg (Cal.)
• Flash point: 127.1±25.9°C (Cal.)
• Refractive index: 1.478 (Expl.)

Safety Data

• Safety Code: S23;S26;S36/37;S45
• Risk Code: R20/22;R36/37/38;R42
• Hazard Symbol: X
• Transport Information: UN2206
• Safety Description: HARMFUL / IRRITANT