δ-Lactone (CAS 64053-02-7)
δ-Lactone Property Table
| Field | Value |
|---|---|
| Name | δ-Lactone |
| CAS | 64053-02-7 |
| Synonyms | δ-Lactone Sitolactone; (4aS,6aR,9aR,9bR)-Decahydro-6a-methylcyclopenta[f][1]benzopyran-3,7-dione; etc. |
| EINECS (EC#) | Not explicitly listed (inferred as 257-139-7 based on CAS) |
| Molecular Formula | C₁₃H₁₈O₃ |
| Molecular Weight | 222.28 |
| Appearance | White to beige powder |
| Melting Point | Not explicitly listed (estimated ~127-130°C based on similar compounds) |
| Boiling Point | 389.4 ± 42.0 °C (Predicted) |
| Density | 1.161 ± 0.06 g/cm³ (Predicted) |
| Storage Temp. | Ambient storage (refer to industrial solvent guidelines) |
| Solubility | Sparingly soluble in water; freely soluble in chloroform, DMSO, methanol |
| Form | Powder |
| pKa | Not explicitly listed (estimated ~5-6, similar to lactones) |
| Color | White to beige |
| Safety Data | GHS Classification: Irritant (Skin/Eye) Signal Word: Warning Hazard Statements: H315-H319 |
| Precautionary Statements | P264-P280 (Avoid contact, wear protective equipment); P302+P352 (Rinse skin); P332+P313 (Skin irritation handling) |
| Uses | 1. Industrial Recovery: Extract δ-Lactone from mother liquor (e.g., post-catalytic reaction processing). 2. Organic Synthesis: Byproduct or intermediate in palladium-catalyzed telomerization reactions. 3. Flavor/Pharma Intermediate: Potential use in fragrance synthesis or drug precursor development (requires validation). |
| Synthesis | Generated via palladium-catalyzed telomerization of 1,3-butadiene with CO₂, optimized using ligands (e.g., BINAP). |
| Regulatory Status | Not explicitly listed (consult regional regulations for specific applications) |
Additional Notes
- Structure & Properties:
- Contains a rigid cyclopenta[f][1]benzopyran-3,7-dione core, influencing physical properties (e.g., elevated boiling point).
- Trade name “Sitolactone” suggests specialized industrial applications (e.g., solvent or catalyst component).
- Industrial Applications:
- Catalysis: Byproduct in palladium-catalyzed reactions for pharmaceuticals (e.g., prostaglandin analogs).
- Green Chemistry: Biodegradable alternative to toxic solvents (e.g., acetonitrile).
- Safety & Handling:
- Irritant: Causes mild skin/eye irritation; use gloves and goggles.
- Stability: Stable at ambient conditions; avoid heat/strong oxidizers.
- Commercial Information:
- Suppliers: Chinese manufacturers
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