2,2,4-Trimethyl-1,3-pentanediol
- Product Name2,2,4-Trimethyl-1,3-pentanediol
- CAS144-19-4
- CBNumberCB4711551
- MFC8H18O2
- MW146.23
- EINECS205-619-1
- MDL NumberMFCD00004681
- MOL File144-19-4.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 50-53 °C (lit.) |
| Boiling point | 232 °C (lit.) |
| Density | 0,937 g/cm3 |
| vapor pressure | 0.314Pa at 20℃ |
| refractive index | 1.4513 |
| Flash point | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform, Methanol |
| form | Solid |
| pka | 14.81±0.20(Predicted) |
| color | Off-White |
| Water Solubility | 31.5g/L at 20℃ |
| BRN | 1698098 |
| Henry's Law Constant | 2.2×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Cosmetics Ingredients Functions | SOLVENT |
| InChI | 1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3 |
| InChIKey | JCTXKRPTIMZBJT-UHFFFAOYSA-N |
| SMILES | CC(C)C(O)C(C)(C)CO |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-37/39 | |||||||||
| WGK Germany | 1 | |||||||||
| RTECS | SA1400000 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 2905.39.9000 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 | |||||||||
| Hazardous Substances Data | 144-19-4(Hazardous Substances Data) | |||||||||
| Toxicity | guinea pig,LD50,oral,2gm/kg (2000mg/kg),Toxicology and Applied Pharmacology. Vol. 29, Pg. 87, 1974. | |||||||||
| NFPA 704: |
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