2,4-DIMETHYL-3-PENTANOL
- Product Name2,4-DIMETHYL-3-PENTANOL
- CAS3970-62-5
- CBNumberCB3136955
- MFC7H16O
- MW116.2
- EINECS223-592-4
- MDL NumberMFCD00004566
- MOL File3970-62-5.mol
- MSDS FileSDS
Chemical Properties
| Melting point | -70 °C |
| Boiling point | 139-140 °C(lit.) |
| Density | 0.825 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point | 99 °F |
| storage temp. | Flammables area |
| form | Liquid |
| pka | 15.31±0.20(Predicted) |
| color | Clear colorless |
| Water Solubility | 8.13g/L(25 ºC) |
| BRN | 1731777 |
| Henry's Law Constant | 4.0×10-1 mol/(m3Pa) at 25℃, Yaffe et al. (2003) |
| InChI | 1S/C7H16O/c1-5-6(8)7(2,3)4/h6,8H,5H2,1-4H3 |
| InChIKey | HMSVXZJWPVIVIV-UHFFFAOYSA-N |
| SMILES | CCC(O)C(C)(C)C |
| CAS DataBase Reference | 3970-62-5(CAS DataBase Reference) |
| FDA UNII | LR5O1LPM79 |
| EPA Substance Registry System | 3-Pentanol, 2,2-dimethyl- (3970-62-5) |
Safety
| Symbol(GHS) |
 
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| Signal word | Warning | |||||||||
| Hazard statements | H226-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P305+P351+P338-P210-P240-P241-P280a-P303+P361+P353-P501a | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 10-36/37/38 | |||||||||
| Safety Statements | 16-26-39-36/37/39 | |||||||||
| RIDADR | UN 1987 3/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29051900 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3 | |||||||||
| NFPA 704: |
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