2,2,6-Trimethyl-4H-1,3-dioxin-4-one
ALDRICH/691380 - Arxada quality, ≥93.0% (GC)
Synonym: TMD; Diketene acetone adduct
CAS Number: 5394-63-8
Empirical Formula (Hill Notation): C7H10O3
Molecular Weight: 142.15
MDL Number: MFCD00040468
Linear Formula: C7H10O3
Product Type: Chemical
| assay | ≥93.0% (GC) |
| bp | 65-67 °C/2 mmHg (lit.) |
| ~275 °C (lit.) | |
| density | 1.07 g/mL at 25 °C (lit.) |
| form | liquid |
| impurities | ≤0.10% diketene (GC) |
| ≤0.4% dehydracetic acid (GC) | |
| ≤0.5% 4-methyl-3-penten-2-one (GC) | |
| ≤6.0% acetone (GC) | |
| InChI | 1S/C7H10O3/c1-5-4-6(8)10- |
| InChI key | XFRBXZCBOYNMJP-UHFFFAOYSA |
| manufacturer/tradename | Arxada AG |
| mp | 12-13 °C (lit.) |
| quality | Arxada quality |
| refractive index | n |
| SMILES string | CC1=CC(=O)OC(C)(C)O1 |
| solubility | H2O: insoluble |
| storage temp. | 2-8°C |
| Application: | 2,2,6-Trimethyl-4H-1,3-dioxin-4-one is generally used as a reactant for the synthesis of acetoacetic esters from aliphatic as well as aromatic alcohols. It can also acetoacetylate amines and thiols. |
| Caution: | products darkens with time |
| Packaging: | 1 kg in glass bottle |
| Packaging: | 25 kg in composite drum |
| Symbol |   GHS02,GHS07 |
| Signal word | Danger |
| Hazard statements | H225 - H319 |
| Precautionary statements | P210 - P305 + P351 + P338 |
| Hazard Codes | F,Xi |
| Risk Statements | 11-36 |
| Safety Statements | 16-26 |
| RIDADR | UN 1993BE 3 / PGII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 57.2 °F - closed cup |
| Flash Point(C) | 14 °C - closed cup |
| Purity | ≥93.0% (GC) |
| bp | ~275 °C (lit.); 65-67 °C/2 mmHg (lit.) |
| mp | 12-13 °C (lit.) |
| Density | 1.07 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |