2,4-Pentanediol
- Product Name2,4-Pentanediol
- CAS625-69-4
- CBNumberCB3365137
- MFC5H12O2
- MW104.15
- EINECS210-907-5
- MDL NumberMFCD00004549
- MOL File625-69-4.mol
Chemical Properties
| Melting point: | 52.5°C |
| Boiling point: | 198 °C |
| Density | 0.96 |
| refractive index | 1.43 |
| Flash point: | 101 °C |
| storage temp. | Store below +30°C. |
| solubility | Fully miscible. |
| pka | 14.74±0.20(Predicted) |
| form | clear liquid |
| color | Colorless to Light yellow |
| Sensitive | Hygroscopic |
| BRN | 969186 |
| Henry's Law Constant | 3.8×103 mol/(m3Pa) at 25℃, Compernolle and Müller (2014) |
| InChI | InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3 |
| InChIKey | GTCCGKPBSJZVRZ-UHFFFAOYSA-N |
| SMILES | CC(O)CC(O)C |
| LogP | -0.386 (est) |
| CAS DataBase Reference | 625-69-4(CAS DataBase Reference) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P271-P280 | |||||||||
| Safety Statements | 24/25 | |||||||||
| WGK Germany | 2 | |||||||||
| RTECS | SA0490000 | |||||||||
| HS Code | 2905399090 | |||||||||
| Toxicity | LD50 orl-rat: 6860 mg/kg AMIHBC 10,61,54 | |||||||||
| NFPA 704: |
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