
4335-77-7
| Name | 2-Cyclohexylmandelic acid |
| CAS | 4335-77-7 |
| EINECS(EC#) | 224-380-4 |
| Molecular Formula | C14H18O3 |
| MDL Number | MFCD00194543 |
| Molecular Weight | 234.29 |
| MOL File | 4335-77-7.mol |
Chemical Properties
| Appearance | White Solid |
| Melting point | 163 °C |
| Boiling point | 135℃/3mm |
| density | 1.206±0.06 g/cm3(Predicted) |
| RTECS | GV2770000 |
| storage temp. | -20°C Freezer |
| solubility | Chloroform (Slightly), Methanol (Sparingly) |
| form | Solid |
| pka | 3.49±0.25(Predicted) |
| color | White to pale brown |
| InChI | 1S/C14H18O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,15,16) |
| InChIKey | YTRNSQPXEDGWMR-UHFFFAOYSA-N |
| SMILES | OC(=O)C(O)(C1CCCCC1)c2ccccc2 |
| CAS DataBase Reference | 4335-77-7(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) | ![]() ![]() GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H315-H318-H335 |
| Precautionary statements | P261-P264-P280-P280-P304+P340+P312-P305+P351+P338+P310 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| REACH Registrations | Active |
| HazardClass | IRRITANT |
| HS Code | 29181990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Dam. 1 Skin Irrit. 2 STOT SE 3 |

