3-Oxetanone
ALDRICH/731536
Synonym: 1,3-
CAS Number: 6704-31-0
Empirical Formula (Hill Notation): C3H4O2
Molecular Weight: 72.06
MDL Number: MFCD09263255
Linear Formula: C3H4O2
Product Type: Chemical
| availability | not available in EU |
| density | 1.124 g/mL at 25 °C |
| form | liquid |
| functional group | ether |
| ketone | |
| InChI | 1S/C3H4O2/c4-3-1-5-2-3/h1 |
| InChI key | ROADCYAOHVSOLQ-UHFFFAOYSA |
| Quality Level | 100 ![]() |
| refractive index | n |
| SMILES string | O=C1COC1 |
| storage temp. | −20°C |
| Application: | 3-Oxetanone can be used to synthesize: • Various oxetane-containing lead compounds with improved solubility, reduced lipophilicity and amphiphilicity. • (Hydroxymethyl)oxazoles and (hydroxymethyl)thiazoles via single-step microwave mediated reaction with primary amides and thioamides, respectively. • Oxetane containing spirocycles through thermal 1,3-dipolar cycloaddition reaction with α-amino acids or secondary α-amino acid esters. |
| General description: | Product may polymerize over time during storage. |
| Packaging: | 2, 10 g in glass bottle |
| Packaging: | 500 mg in glass bottle |
| Symbol | ![]() ![]() GHS02,GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H226 - H302 - H315 - H317 - H318 - H335 |
| Precautionary statements | P210 - P280 - P301 + P312 + P330 - P302 + P352 - P305 + P351 + P338 + P310 |
| Hazard Codes | Xn |
| Risk Statements | 10-22-37/38-41-43 |
| Safety Statements | 16-26-36/37/39 |
| RIDADR | UN 1993C 3 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 79.0 °F - closed cup |
| Flash Point(C) | 26.1 °C - closed cup |
| Density | 1.124 g/mL at 25 °C |
| Refractive Index | n |
| Storage Temp. | −20°C |
| UNSPSC | 12352100 |




