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Allicin Structure

Allicin

Chemical Properties

Melting point 25°C
Boiling point 259°C (rough estimate)
Density  d420 1.112
refractive index  nD20 1.561
storage temp.  4°C, away from moisture and light
solubility  DMSO : 5 mg/mL (30.81 mM; Need ultrasonic)H2O : < 0.1 mg/mL (insoluble)
form  liquid
color  Colorless to light yellow
Water Solubility  24g/L(10 ºC)
InChI InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
InChIKey JDLKFOPOAOFWQN-UHFFFAOYSA-N
SMILES C(S(SCC=C)=O)C=C
LogP 1.133 (est)

Safety Information

HS Code  29329990
Toxicity LD50 in mice (mg/kg): 60 i.v.; 120 s.c. (Cavallito, Bailey)

Usage And Synthesis

Preparation Products And Raw materials

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