(+)-Alliin , 10mMinDMSO , 556-27-4

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

PRODUCT Properties

• Melting point: 164-166° (effervescence)
• alpha: D20 +63.5° (c = 2)
• Boiling point: 416.1±45.0 °C(Predicted)
• 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.
• form: solid
• pka: 1.88±0.10(Predicted)
• 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|
• LogP: -0.478 (est)
• CAS DataBase Reference: 556-27-4(CAS DataBase Reference)

Description and Uses

Alliin (S-allyl cysteine sulfoxide) is an organic sulfur-containing product derived from the amino acid cysteine. It is the precursor of thiosulfinates, which are responsible for the characteristic pungent flavours of Allium species. It is an L-alanine derivative in which one of the methyl hydrogens of L-alanine has been replaced by an (S)-allyl sulfinyl group. It has a role as a plant metabolite, an antioxidant, a cardioprotective agent, a neuroprotective agent and an antimicrobial agent. It is a non-proteinogenic alpha-amino acid, an L-cysteine derivative, an L-alanine derivative, a sulfoxide and an olefinic compound. It is a tautomer of an alliin zwitterion.

antibacterial, antioxidant

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26
• WGK Germany: 3
• F: 8-10
• HS Code: 29309090