4198-90-7
| Name | 3,5-Dimethyl-4-hydroxybenzonitrile |
| CAS | 4198-90-7 |
| EINECS(EC#) | 452-810-2 |
| Molecular Formula | C9H9NO |
| MDL Number | MFCD00221716 |
| Molecular Weight | 147.17 |
| MOL File | 4198-90-7.mol |
Chemical Properties
| Appearance | White to beige crystalline powder |
| Melting point | 123-127 °C |
| Boiling point | 267.28°C (rough estimate) |
| density | 1.1135 (rough estimate) |
| vapor pressure | 0.005Pa at 25℃ |
| refractive index | 1.5290 (estimate) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | soluble in Methanol |
| form | Crystalline Powder |
| pka | pK1:8.27 (25°C) |
| color | White to beige |
| Water Solubility | 320mg/L at 20℃ |
| InChI | InChI=1S/C9H9NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,1-2H3 |
| InChIKey | WFYGXOWFEIOHCZ-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC(C)=C(O)C(C)=C1 |
| LogP | 1.6 at 20℃ |
| CAS DataBase Reference | 4198-90-7(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS06 |
| Signal word | Danger |
| Hazard statements | H300-H319 |
| Precautionary statements | P264-P270-P280-P301+P310-P305+P351+P338-P337+P313 |
| Hazard Codes | T,Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | DI4359000 |
| Hazard Note | Toxic |
| REACH Registrations | Active |
| HazardClass | IRRITANT |
| HS Code | 29269095 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Oral Eye Irrit. 2 |
| Toxicity |
