15-ACETOXY-3ALPHA,7ALPHA-DIHYDROXY-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE manufacturers
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| | 15-ACETOXY-3ALPHA,7ALPHA-DIHYDROXY-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE Basic information |
| | 15-ACETOXY-3ALPHA,7ALPHA-DIHYDROXY-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE Chemical Properties |
| Boiling point | 538.6±50.0 °C(Predicted) | | density | 1.42±0.1 g/cm3(Predicted) | | Fp | 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) |
| 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 |
| | 15-ACETOXY-3ALPHA,7ALPHA-DIHYDROXY-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE Usage And Synthesis |
| Chemical Properties | Solid | | Uses | A mycotoxin produced by the fungi Fusarium culmorum and Fusarium graminearum, inhibits protein synthesis. | | Definition | ChEBI: 15-acetyldeoxynivalenol is a trichothecene mycotoxin that is deoxynivalenol acetylated on the oxygen at C-15. A skin and eye irritant, along with its 3-acetyl regioisomer and its parent deoxynivalenol it is considered among the most commonly and widely distributed cereal contaminants. It has a role as an epitope and a mycotoxin. It is functionally related to a deoxynivalenol. | | Biological Activity | 15-O-Acetyl-4-deoxynivalenol (15-ADON) can be harmful for the consumption of humans and livestock. | | Synthesis | DON (79.0 mg, 0.27 mmol) was dissolved in 50 mL of anhydrous dichloromethane, pyridine (1 mL) and 4-DMAP (ca. 10 mg) were added, then acetic anhydride (27.2 mg, 0.27 mmol) was added dropwise. The reaction was stirred overnight, treated with 20 mL of HCl (2N) and extracted three times with 50 mL of dichloromethane. After drying with sodium sulfate, it was filtered and the solvent evaporated. The remaining residue was separated by column chromatography (CHCl3: MeOH = 95:5) to give 15-ADON, i.e., 15-O-acetoxydeoxyguaifenesin (42.0 mg, 47%,).
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| | 15-ACETOXY-3ALPHA,7ALPHA-DIHYDROXY-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE Preparation Products And Raw materials |
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