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HomeProduct name listAlliin

Alliin

Synonym(s):(S)-S-Allyl-L-cysteine sulfoxide;(S)-L-3-(Allylsulfinyl)alanine;S-Allyl-L-cysteine sulfoxide;L-Alliin;3-(2-Propenylsulfinyl)-L-alanine

  • CAS NO.:556-27-4
  • Empirical Formula: C6H11NO3S
  • Molecular Weight: 177.22
  • MDL number: MFCD01311056
  • EINECS: 209-118-9
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-08 20:21:46
Alliin Structural

What is Alliin?

The Uses of Alliin

antibacterial, antioxidant

What are the applications of Application

L(+)Alliin is a orally acyclic nucleoside

Definition

ChEBI: An L-alanine derivative in which one of the methyl hydrogens of L-alanine has been replaced by an (S)-allylsulfinyl group.

Properties of 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
CAS DataBase Reference 556-27-4(CAS DataBase Reference)

Safety information for Alliin

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for Alliin

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

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