DIACETOXYSCIRPENOL
- Product NameDIACETOXYSCIRPENOL
- CAS2270-40-8
- MFC19H26O7
- MW366.41
- EINECS218-873-3
- MOL File2270-40-8.mol
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 |
| Henry's Law Constant | 1.0×1011 mol/(m3Pa) at 25℃, HSDB (2015) |
| 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| |
Safety Information
| 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 |