Shikimic acid
- Product NameShikimic acid
- CAS138-59-0
- CBNumberCB2293550
- MFC7H10O5
- MW174.15
- EINECS205-334-2
- MDL NumberMFCD00066278
- MOL File138-59-0.mol
Chemical Properties
| Melting point: | 185-187 °C (lit.) |
| Boiling point: | 225.11°C (rough estimate) |
| alpha | -180 º (c=4, H2O 25 ºC) |
| Density | 1.52 g/cm3 (27.2℃) |
| vapor pressure | 0Pa at 25℃ |
| refractive index | -180 ° (C=1, H2O) |
| storage temp. | 2-8°C |
| solubility | 180g/l |
| form | Powder |
| pka | pK (14.1°) 5.19 |
| color | White to light beige or light gray |
| optical activity | [α]/D -180.0±5.0°, c = 4 in H2O |
| Water Solubility | 18 g/100 mL (20 ºC) |
| Sensitive | Hygroscopic |
| Merck | 14,8480 |
| BRN | 4782717 |
| Henry's Law Constant | 3.7×108 mol/(m3Pa) at 25℃, HSDB (2015) |
| Major Application | food and beverages |
| Cosmetics Ingredients Functions | SKIN CONDITIONING DEODORANT ANTI-SEBORRHEIC |
| InChI | 1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1 |
| InChIKey | JXOHGGNKMLTUBP-HSUXUTPPSA-N |
| SMILES | O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O |
| LogP | -1.5 at 21℃ and pH1 |
| Surface tension | 49.86mN/m at 1g/L and 20℃ |
| CAS DataBase Reference | 138-59-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Shikimic acid(138-59-0) |
| IARC | 3 (Vol. 40, Sup 7) 1987 |
Safety
| Symbol(GHS) |
 GHS05 |
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| Signal word | Danger | |||||||||
| Hazard statements | H318 | |||||||||
| Precautionary statements | P280-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 22-24/25-36-26 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | GW4600000 | |||||||||
| F | 3-10 | |||||||||
| HS Code | 29181980 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Dam. 1 | |||||||||
| Hazardous Substances Data | 138-59-0(Hazardous Substances Data) | |||||||||
| Toxicity | LD5 i.p. in mice: 1000 mg/kg (Evans, Osman) | |||||||||
| REACH Registrations | Active | |||||||||
| NFPA 704: |
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