Introduction：Basic information about CAS 539-86-6|Allicin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Allicin |
|---|
| CAS Number | 539-86-6 | Molecular Weight | 162.27 |
|---|
| Density | 1.1±0.1 g/cm3 | Boiling Point | 248.6±43.0 °C at 760 mmHg |
|---|
| Molecular Formula | C6H10OS2 | Melting Point | 25°C |
|---|
| MSDS | / | Flash Point | 104.2±28.2 °C |
|---|
Names
| Name | Allicin |
|---|
| Synonym | More Synonyms |
|---|
Allicin BiologicalActivity
| Description | Allicin (diallyl thiosulfinate), a highly potent natural antimicrobial activity substance, inhibits growth of a variety of microorganisms, among them antibiotic-resistant strains[1]. |
|---|
| Related Catalog | Research Areas >>InfectionSignaling Pathways >>Anti-infection >>Bacterial |
|---|
| In Vitro | Allicin exhibits comparable MICs (32-64 μg/mL) toward methicillin-resistant S. aureus ATCC 43300, the type strain S. aureus DSM 20231, E. coli DSM 30083, A. baumannii DSM 30007, and C. albicans DSM 1386[1]. |
|---|
| References | [1]. Rahman, et al. Allicin and Other Functional Active Components in Garlic: Health Benefits and Bioavailability[J]. International Journal of Food Properties, 2007, 10(2):245-268. [2]. Müller A, et al. Allicin Induces Thiol Stress in Bacteria through S-Allylmercapto Modification of ProteinCysteines. J Biol Chem. 2016 May 27;291(22):11477-90. |
|---|
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|
| Boiling Point | 248.6±43.0 °C at 760 mmHg |
|---|
| Melting Point | 25°C |
|---|
| Molecular Formula | C6H10OS2 |
|---|
| Molecular Weight | 162.27 |
|---|
| Flash Point | 104.2±28.2 °C |
|---|
| Exact Mass | 162.017303 |
|---|
| PSA | 61.58000 |
|---|
| LogP | 1.19 |
|---|
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
|---|
| Index of Refraction | 1.567 |
|---|
| InChIKey | JDLKFOPOAOFWQN-UHFFFAOYSA-N |
|---|
| SMILES | C=CCSS(=O)CC=C |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UD1900000
- CHEMICAL NAME :
- 2-Propene-1-sulfinic acid, thio-, S-allyl ester
- CAS REGISTRY NUMBER :
- 539-86-6
- BEILSTEIN REFERENCE NO. :
- 1752823
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C6-H10-O-S2
- MOLECULAR WEIGHT :
- 162.28
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 120 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 66,1950,1944
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 60 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 66,1950,1944
|
Safety Information
| Hazard Codes | Xi |
|---|
| HS Code | 2309901000 |
|---|
Customs
Synonyms
| 2-Propene-1-sulfinothioic acid, S-2-propenyl ester (9CI) |
| AllS(O)SAll |
| S-Allyl prop-2-ene-1-sulfinothioate |
| Allisure Liquid |
| Allicin |
| alliosan |
| AlliMed |
| ARICINE(P) |
| S-Allyl 2-propene-1-sulfinothioate |
| Allisatin |
| 2-Propene-1-sulfinothioic acid, S-2-propen-1-yl ester |
| S-prop-2-en-1-yl prop-2-ene-1-sulfinothioate |
| S-2-propenyl 2-propenethiosulfinate |
| Allantolin Allicin |
| Allitrid |
| allyl 2-propenethiosulfinate |
| ALLICIN(SH) |
| allyl 2-propenylthiosulfinate |
| S-2-propen-1-yl 2-propene-1-sulfinothioate |
| Dianyctrsnlgide |
| EINECS 208-727-7 |
