Basic information
- Name:
Allicin
- CAS No.:
539-86-6
- Molecular Structure:
- Formula:
- C6H10OS2
- Synonyms:
- 2-Propene-1-sulfinothioicacid, S-2-propen-1-yl ester;2-Propene-1-sulfinicacid, thio-, S-allyl ester (7CI,8CI);2-Propene-1-sulfinothioic acid,S-2-propenyl ester (9CI);Alliosan;Diallylthiosulfinate;Thio-2-propene-1-sulfinic acid S-allyl ester;
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Chemistry
Structure of Allicin (CAS NO.539-86-6):
.jpg)
IUPAC Name: 3-prop-2-enylsulfinylsulfanylprop-1-ene
Empirical Formula: C6H10OS2
Molecular Weight: 162.273
EINECS: 208-727-7
Index of Refraction: 1.567
Molar Refractivity: 46.15 cm3
Molar Volume: 141.2 cm3
Polarizability: 18.29×10-24cm3
Surface Tension: 47.3 dyne/cm
Density: 1.148 g/cm3
Flash Point: 104.2 °C
Enthalpy of Vaporization: 46.61 kJ/mol
Boiling Point: 248.6 °C at 760 mmHg
Vapour Pressure: 0.0379 mmHg at 25°C
Product Categories: plant extract
Canonical SMILES: C=CCSS(=O)CC=C
InChI: InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
InChIKey: JDLKFOPOAOFWQN-UHFFFAOYSA-N
History
Allicin is an organic compound obtained from garlic. It is also obtainable from onions, and other species in the family Alliaceae. It was first isolated and studied in the laboratory by Chester J. Cavallito in 1944.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 60mg/kg (60mg/kg) | Journal of the American Chemical Society. Vol. 66, Pg. 1950, 1944. | |
| mouse | LD50 | subcutaneous | 120mg/kg (120mg/kg) | Journal of the American Chemical Society. Vol. 66, Pg. 1950, 1944. |
Specification
Allicin , its cas register number is 64058-30-6. It also can be called 4-04-00-00007 (Beilstein Handbook Reference) ; Allylthiosulphinic acid allyl ester ; Diallyl thiosulfinate ; Diallyldisulfid-S-oxid ; Thio-2-propene-1-sulfinic acid S-allyl ester .
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