2-Cyclohexylmandelic acid
Catalog No: FT-0635236
CAS No: 4335-77-7
- Chemical Name: 2-Cyclohexylmandelic acid
- Molecular Formula: C14H18O3
- Molecular Weight: 234.29 g/mol
- InChI Key: YTRNSQPXEDGWMR-UHFFFAOYSA-N
- InChI: 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)
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | GHS05, GHS07 |
|---|---|
| CAS: | 4335-77-7 |
| Flash_Point: | 215.1±19.7 °C |
| Product_Name: | α-Cyclohexylmandelic acid |
| Bolling_Point: | 408.6±25.0 °C at 760 mmHg |
| FW: | 234.291 |
| Melting_Point: | 163 °C |
| MF: | C14H18O3 |
| Density: | 1.2±0.1 g/cm3 |
| Refractive_Index: | 1.574 |
|---|---|
| Vapor_Pressure: | 0.0±1.0 mmHg at 25°C |
| Flash_Point: | 215.1±19.7 °C |
| LogP: | 3.33 |
| Bolling_Point: | 408.6±25.0 °C at 760 mmHg |
| PSA: | 57.53000 |
| Molecular_Structure: | ['1 . Molar refractive index 6414 ', '2 . Molar volume （m3/mol）1942 ', '3 . Parachor （902K）5215 ', '4 . Surface tension 519 ', '5 . Polarizability （10 -24cm 3）2542'] |
| Computational_Chemistry: | ['1. XlogP :3 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 575 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :265 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Melting_Point: | 163 °C |
| MF: | C14H18O3 |
| Exact_Mass: | 234.125595 |
| FW: | 234.291 |
| Density: | 1.2±0.1 g/cm3 |
| More_Info: | ['1 . Appearance White 结晶Solid ', '2 . Density（g/mL ,20/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）165-167 ', '5 . Boiling point（ºC）不确定 ', '6 . Boiling point（ºC, 15 mmHg）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º, C=1, 氯仿）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定'] |
| Symbol: | GHS05, GHS07 |
|---|---|
| Risk_Statements(EU): | R22:Harmful if swallowed. R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . R67:Vapors may cause drowsiness and dizziness. R65:Harmful: May cause lung damage if swallowed. R38:Irritating to the skin. R |
| HS_Code: | 2918199090 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
| RTECS: | TF1410000 |
| RIDADR: | UN3082 9/PG 3 |
| Hazard_Codes: | Xn,N,F |
| Warning_Statement: | P261-P280-P305 + P351 + P338 |
| Safety_Statements: | H315-H318-H335 |
