15-Acetoxy-3alpha,7alpha-dihydroxy-12,13-epoxytrichothec-9-en-8-one
- Product Name15-Acetoxy-3alpha,7alpha-dihydroxy-12,13-epoxytrichothec-9-en-8-one
- CAS88337-96-6
- CBNumberCB5435409
- MFC17H22O7
- MW338.35
- EINECS621-572-3
- MDL NumberMFCD00083218
- MOL File88337-96-6.mol
- MSDS FileSDS
Chemical Properties
| Boiling point | 538.6±50.0 °C(Predicted) |
| Density | 1.42±0.1 g/cm3(Predicted) |
| Flash point | 2 °C |
| storage temp. | 2-8°C |
| solubility | Chloroform: soluble; Ethanol: soluble |
| pka | 11.83±0.70(Predicted) |
| form | Solid |
| color | White to off-white |
| Major Application | cleaning products cosmetics food and beverages personal care |
| InChI | 1S/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1 |
| InChIKey | IDGRYIRJIFKTAN-HTJQZXIKSA-N |
| SMILES | [H][C@]12O[C@]3([H])[C@H](O)C[C@@](C)([C@]34CO4)[C@@]1(COC(C)=O)[C@H](O)C(=O)C(C)=C2 |
| LogP | -0.400 (est) |
| EWG's Food Scores | 1 |
| FDA UNII | 0430X4R3Z1 |
| UNSPSC Code | 85151701 |
| NACRES | NA.77 |
Safety
| Symbol(GHS) |
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| Signal word | Danger | |||||||||
| Hazard statements | H300-H311+H331 | |||||||||
| Precautionary statements | P280-P301+P310+P330-P302+P352+P312-P304+P340+P311 | |||||||||
| Hazard Codes | T,Xn,F | |||||||||
| Risk Statements | 23/24/25-36-20/21/22-11 | |||||||||
| Safety Statements | 36/37-45-26-16 | |||||||||
| RIDADR | UN 2811 6.1/PG 2 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | YD0155000 | |||||||||
| HazardClass | 6.1(a) | |||||||||
| PackingGroup | I | |||||||||
| 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 | |||||||||
| NFPA 704: |
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