3,5,5-Trimethyl-1-hexanol
- Product Name3,5,5-Trimethyl-1-hexanol
- CAS3452-97-9
- CBNumberCB0466950
- MFC9H20O
- MW144.25
- EINECS222-376-7
- MDL NumberMFCD00036138
- MOL File3452-97-9.mol
Chemical Properties
| Melting point: | −70 °C |
| Boiling point: | 194.0 °C |
| Density | 0.824 g/mL |
| vapor pressure | 2hPa at 20℃ |
| FEMA | 3324 | 3,5,5-TRIMETHYL-1-HEXANOL |
| refractive index | 1.43 |
| Flash point: | 80°C |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 15.13±0.10(Predicted) |
| form | Clear liquid |
| color | Colorless to Almost colorless |
| Odor | at 10.00 % in dipropylene glycol. grassy green weedy floral earthy aldehydic hay straw leaf |
| Odor Type | green |
| biological source | synthetic |
| Water Solubility | 450.1mg/L(20 ºC) |
| JECFA Number | 268 |
| Henry's Law Constant | 4.1×10-2 mol/(m3Pa) at 25℃, Yaws (2003) |
| Cosmetics Ingredients Functions | SOLVENT FRAGRANCE |
| InChI | 1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3 |
| InChIKey | BODRLKRKPXBDBN-UHFFFAOYSA-N |
| SMILES | CC(CCO)CC(C)(C)C |
| LogP | 3.7 at 25℃ |
| CAS DataBase Reference | 3452-97-9(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Hexanol, 3,5,5-trimethyl-(3452-97-9) |
| EPA Substance Registry System | 3,5,5-Trimethyl-1-hexanol (3452-97-9) |
Safety
| Symbol(GHS) |
   GHS07,GHS08,GHS09 |
|||||||||
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H373-H411 | |||||||||
| Precautionary statements | P260-P264-P273-P302+P352-P305+P351+P338-P314 | |||||||||
| Hazard Codes | Xn,N,Xi | |||||||||
| Risk Statements | 36-51/53-52/53-22-36/38 | |||||||||
| Safety Statements | 26-61-24/25 | |||||||||
| RIDADR | UN 3082 9/PG 3 | |||||||||
| WGK Germany | 2 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 9 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 2905199090 | |||||||||
| Storage Class | 10 - Combustible liquids | |||||||||
| Hazard Classifications |
Aquatic Chronic 2 Eye Irrit. 2 Skin Irrit. 2 STOT RE 2 Oral |
|||||||||
| REACH Registrations | Active | |||||||||
| NFPA 704: |
|