2050-87-5
| Name | Diallyl trisulfide |
| CAS | 2050-87-5 |
| EINECS(EC#) | 218-107-8 |
| Molecular Formula | C6H10S3 |
| MDL Number | MFCD00040025 |
| Molecular Weight | 178.34 |
| MOL File | 2050-87-5.mol |
Chemical Properties
| Boiling point | bp6 92°; bp0.0008 66-67° |
| density | 1.085 |
| FEMA | 3265 |
| refractive index | nD20 1.5896 |
| storage temp. | -20°C |
| solubility | Soluble in acetone, Ethanol(~3 mg/ml), DMSO (~5 mg/ml), and DMF (~10 mg/ml). |
| form | oil |
| color | Colorless to light yellow |
| Odor | at 0.10 % in propylene glycol. garlic green onion metallic |
| biological source | Allium sativum L. |
| Odor Type | sulfurous |
| Water Solubility | insoluble in water. |
| JECFA Number | 587 |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2 |
| InChIKey | UBAXRAHSPKWNCX-UHFFFAOYSA-N |
| SMILES | S(SCC=C)SCC=C |
| LogP | 4.59 |
| CAS DataBase Reference | 2050-87-5(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS06 |
| Signal word | Danger |
| Hazard statements | H301 |
| Precautionary statements | P301+P310 |
| RIDADR | 2810 |
| WGK Germany | 3 |
| RTECS | BC6168000 |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 29309090 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral |