Alliin

Melting point::

164-166° (effervescence)

Boiling point::

416.1±45.0 °C(Predicted)

alpha :

D20 +63.5° (c = 2)

Density :

1.205 (estimate)

refractive index :

1.5500 (estimate)

storage temp. :

Keep in dark place,Inert atmosphere,Store in freezer, under -20°C

solubility :

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.

pka:

1.88±0.10(Predicted)

form :

solid

color :

White to off-white

Merck :

13,259

InChI:

InChI=1/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11-/s3

InChIKey:

XUHLIQGRKRUKPH-DYEAUMGKSA-N

SMILES:

C(O)(=O)[C@H](C[S@](CC=C)=O)N |&1:3,5,r|

Symbol(GHS) 

GHS07

Signal word 

Warning

Hazard statements 

H315-H319-H335

Precautionary statements 

P261-P264-P271-P280-P302+P352-P305+P351+P338