Caffeic acid
Catalog No: FT-0614329
CAS No: 331-39-5
- Molecular Formula: 180.16
- Formula Weight: C9H8O4
- Inchl Key: QAIPRVGONGVQAS-RQOWECAXSA-N
- Inchl: InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2-
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | GHS07, GHS08 |
|---|---|
| CAS: | 331-39-5 |
| Flash_Point: | 220.0±22.4 °C |
| Product_Name: | Caffeic acid |
| Bolling_Point: | 416.8±35.0 °C at 760 mmHg |
| FW: | 180.157 |
| Melting_Point: | 211-213 °C (dec.)(lit.) |
| MF: | C9H8O4 |
| Density: | 1.5±0.1 g/cm3 |
| Refractive_Index: | 1.707 |
|---|---|
| Vapor_Pressure: | 0.0±1.0 mmHg at 25°C |
| Flash_Point: | 220.0±22.4 °C |
| LogP: | 1.42 |
| Bolling_Point: | 416.8±35.0 °C at 760 mmHg |
| Water_Solubility: | soluble in hot water |
| PSA: | 77.76000 |
| Molecular_Structure: | ['1 . Molar refractive index 4747 ', '2 . Molar volume 1218 ', '3 . Parachor （902K）3620 ', '4 . Surface tension 778 ', '5 . Polarizability 1881'] |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :16 ', '6. TPSA 778 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :212 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Melting_Point: | 211-213 °C (dec.)(lit.) |
| MF: | C9H8O4 |
| Exact_Mass: | 180.042252 |
| FW: | 180.157 |
| Density: | 1.5±0.1 g/cm3 |
| More_Info: | ['一物性数据 ', '1. Appearance Yellow 结晶（Water ），遇碱液变橙色，有刺激性。 ', '2. Density（g/mL,25/4℃）1478 ', '3. Relative vapor density（g/mL,Atmosphere =1）不可用 ', '4. Melting point（ºC）194-198 ', '5. Boiling point（ºC,Atmospheric pressure）223~225（dec） ', '6. Boiling point（ºC,52kPa）不可用 ', '7. Refractive index不可用 ', '8. Flash point（ºC）220 ', '9. Specific rotation（º）不可用 ', '10. Spontaneous ignition point or ignition temperature（ºC）不可用 ', '11. Vapor pressure（kPa,25ºC）不可用 ', '12. Saturated vapor pressure（kPa,60ºC）不可用 ', '13. Combustion heat（KJ/mol）不可用 ', '14. Critical temperature（ºC）不可用 ', '15. Critical pressure（KPa）不可用 ', '16. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不可用 ', '17. Upper limit of explosion（%,V/V）不可用 ', '18. Lower limit of explosion（%,V/V）不可用 ', '19. Solubility 可Soluble in 热Water Ethanol ，微Soluble in 冷Water '] |
| Symbol: | GHS07, GHS08 |
|---|---|
| RIDADR: | NONH for all modes of transport |
| HS_Code: | 2942000000 |
| Risk_Statements(EU): | R36/37/38;R40 |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| RTECS: | GD8950000 |
| Hazard_Codes: | Xn:Harmful |
| Warning_Statement: | P261-P281-P305 + P351 + P338 |
| Safety_Statements: | H315-H319-H335-H351-H361 |
