3-BUTENE-1,2-DIOL (CAS 86161-40-2) Technical Overview
1. Basic Information & Specifications
| Parameter | Value |
|---|---|
| Chemical Name | 3-Butene-1,2-diol |
| CAS Number | 86161-40-2 |
| Molecular Formula | C4H8O2 |
| Molecular Weight | 88.105 g/mol |
| Density | 1.036 g/cm³ |
| Boiling Point | 196.5°C at 760 mmHg |
| Flash Point | 89.3°C |
| PSA | 40.46 Ų |
2. Safety Information
- Hazard Codes (EU): Xn (Harmful)
- Risk Statements: R36/37/38 (Irritates eyes, respiratory system, and skin)
- Safety Precautions: Wear protective gloves/eye gear (S36)
3. Structural & Physicochemical Properties
SMILES: C=CC(O)CO
InChI Key: ITMIAZBRRZANGB-UHFFFAOYSA-N
LogP: -0.474 (Indicates moderate hydrophilicity)
4. Commercial Availability
This compound is available through specialized chemical suppliers. Three verified manufacturers are listed on chem960.com, though specific company names require direct inquiry.
5. Applications
While explicit usage data isn’t provided in available literature, structural analogs suggest potential applications in:
- Organic synthesis intermediates
- Polymer chemistry (diol functionality)
- Biochemical research (similar to related diols)
6. Handling & Storage
- Store in cool, ventilated area away from oxidizers
- Use corrosion-resistant containers
- Monitor vapor concentrations below 89.3°C flash point
7. Regulatory Compliance
Complies with standard laboratory chemical regulations. MSDS should be consulted prior to industrial-scale handling.
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