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: 2025-12-26 08:49:36
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ChEBI: An L-alanine derivative in which one of the methyl hydrogens of L-alanine has been replaced by an (S)-allylsulfinyl group.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) |
 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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