DIACETOXYSCIRPENOL
- Product NameDIACETOXYSCIRPENOL
- CAS2270-40-8
- CBNumberCB1332926
- MFC19H26O7
- MW366.41
- EINECS218-873-3
- MDL NumberMFCD00866334
- MOL File2270-40-8.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 162-164℃ |
| Boiling point | 407.62°C (rough estimate) |
| Density | 1.1821 (rough estimate) |
| refractive index | 1.4790 (estimate) |
| Flash point | 2 °C |
| storage temp. | 2-8°C |
| solubility | DMF: 30 mg/ml; DMF:PBS (pH 7.2) (1:4): 0.2 mg/ml; DMSO: 30 mg/ml; Ethanol: 20 mg/ml |
| form | A crystalline solid |
| pka | 13.40±0.70(Predicted) |
| color | Crystals from EtOAc |
| Major Application | cleaning products cosmetics food and beverages personal care |
| InChI | InChI=1/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17?,18-,19?/s3 |
| InChIKey | AUGQEEXBDZWUJY-UYOBWRNGNA-N |
| SMILES | CC12[C@@H]([C@@H](O)[C@@]([H])(O[C@]3([H])C=C(C)CC[C@]13COC(=O)C)C12OC1)OC(=O)C |&1:2,3,5,8,15,r| |
| FDA UNII | UYL28I099N |
| NCI Drug Dictionary | anguidine |
| UNSPSC Code | 85151701 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
|
|||||||||
| Signal word | Danger | |||||||||
| Hazard statements | H300+H310+H330-H315-H319 | |||||||||
| Precautionary statements | P260-P262-P280 | |||||||||
| Hazard Codes | T+,T,Xn,F | |||||||||
| Risk Statements | 26/27/28-36/38-36-20/21/22-11 | |||||||||
| Safety Statements | 53-45-36/37-16 | |||||||||
| RIDADR | UN 3462 6.1/PG 2 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | YD0112000 | |||||||||
| F | 10 | |||||||||
| HazardClass | 6.1(a) | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 29329990 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2 | |||||||||
| Hazardous Substances Data | 2270-40-8(Hazardous Substances Data) | |||||||||
| Toxicity | LD50 oral in rat: 7mg/kg | |||||||||
| NFPA 704: |
|