PRUNASIN
- Product NamePRUNASIN
- CAS99-18-3
- CBNumberCB9677133
- MFC14H17NO6
- MW295.29
- EINECS202-738-0
- MDL NumberMFCD00049232
- MOL File99-18-3.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 138-148°C |
| Boiling point | 527.0±50.0 °C(Predicted) |
| Density | 1.45±0.1 g/cm3(Predicted) |
| storage temp. | Hygroscopic, -20°C Freezer, Under Inert Atmosphere |
| solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| form | Powder |
| pka | 12.71±0.70(Predicted) |
| color | White to off-white |
| Stability | Hygroscopic |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| Cosmetics Ingredients Functions | SKIN CONDITIONING |
| InChI | InChI=1/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/s3 |
| InChIKey | ZKSZEJFBGODIJW-OAWZEMCWNA-N |
| SMILES | O([C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)[C@H](C1C=CC=CC=1)C#N |&1:1,2,3,5,7,12,r| |
| EWG's Food Scores | 1 |
| FDA UNII | 14W4BPM5FB |
| UNSPSC Code | 12352205 |
| NACRES | NA.25 |
Safety
| Symbol(GHS) |
 
|
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| Signal word | Danger | |||||||||
| Hazard statements | H301-H360 | |||||||||
| Precautionary statements | P201-P301+P310+P330 | |||||||||
| Hazard Codes | T | |||||||||
| Risk Statements | 36/37/38-25-60 | |||||||||
| Safety Statements | 26-36/37/39-61-45 | |||||||||
| RIDADR | UN 2811 6.1 / PGIII | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | UL3420000 | |||||||||
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects | |||||||||
| Hazard Classifications | Acute Tox. 3 Oral Repr. 1B | |||||||||
| NFPA 704: |
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