Introduction：Basic information about CAS 2050-87-5|Diallyl trisulfide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Diallyl trisulfide |
|---|
| CAS Number | 2050-87-5 | Molecular Weight | 178.339 |
|---|
| Density | 1.1±0.1 g/cm3 | Boiling Point | 229.5±43.0 °C at 760 mmHg |
|---|
| Molecular Formula | C6H10S3 | Melting Point | / |
|---|
| MSDS | ChineseUSA | Flash Point | 87.8±25.2 °C |
|---|
| Symbol |
GHS06 | Signal Word | Danger |
|---|
Names
| Name | diallyl trisulfide |
|---|
| Synonym | More Synonyms |
|---|
Diallyl trisulfide BiologicalActivity
| Description | Diallyl Trisulfide is isolated from Garlic. Diallyl Trisulfide suppresses the growth of Penicillium expansum (MFC99 value: ≤ 90 μg/mL) and promotes apoptosis via production of reactive oxygen species (ROS) and disintegration of cellular ultrastructure. Anticancer effect[1]. |
|---|
| Related Catalog | Signaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>CancerResearch Areas >>InfectionSignaling Pathways >>Anti-infection >>Fungal |
|---|
| Target | Penicillium expansum (MFC99 value: ≤ 90)[1]; Apoptosis[1]; Reactive oxygen species (ROS)[1] |
|---|
| References | [1]. Pu Liu, et al. Diallyl trisulfide (DATS) effectively induced apoptosis of postharvest diseasePenicillium expansum of citrus. Annals of Microbiology. December 2009, Volume 59, Issue 4, pp 675-679. |
|---|
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|
| Boiling Point | 229.5±43.0 °C at 760 mmHg |
|---|
| Molecular Formula | C6H10S3 |
|---|
| Molecular Weight | 178.339 |
|---|
| Flash Point | 87.8±25.2 °C |
|---|
| Exact Mass | 177.994461 |
|---|
| PSA | 75.90000 |
|---|
| LogP | 4.59 |
|---|
| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
|---|
| Index of Refraction | 1.582 |
|---|
| InChIKey | UBAXRAHSPKWNCX-UHFFFAOYSA-N |
|---|
| SMILES | C=CCSSSCC=C |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- BC6168000
- CHEMICAL NAME :
- Allyl trisulfide
- CAS REGISTRY NUMBER :
- 2050-87-5
- BEILSTEIN REFERENCE NO. :
- 1745734
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C6-H10-S3
- MOLECULAR WEIGHT :
- 178.34
- WISWESSER LINE NOTATION :
- 1U2SSS2U1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 3,249,1980
|
Safety Information
| Symbol |
GHS06 |
|---|
| Signal Word | Danger |
|---|
| Hazard Statements | H301 |
|---|
| Precautionary Statements | P301 + P310 |
|---|
| Hazard Codes | T+ |
|---|
| RIDADR | UN 2810 |
|---|
| RTECS | BC6168000 |
|---|
| Packaging Group | III |
|---|
| Hazard Class | 6.1(b) |
|---|
| HS Code | 2930909090 |
|---|
Customs
| HS Code | 2930909090 |
|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
|---|
Synonyms
| Diallyltrisulfide |
| allyl trisulfide |
| FEMA No. 3265 |
| diprop-2-en-1-yltrisulfane |
| Prop-2-enyl prop-2-enylthio disulfide |
| 1,3-Diallyltrisulfane |
| Diallyl trisulfide |
| Diallyltrisulfane |
| bis-2-propenyl trisulfide |
| Di-2-propenyl trisulfide |
| diallyl trisulphide |
| Trisulfane, 1,3-di-2-propen-1-yl- |
| Trisulfide,di-2-propenyl |
| EINECS 218-107-8 |
| 3-(prop-2-enyltrisulfanyl)prop-1-ene |
| MFCD00040025 |
| Allitridin |
