17795-27-6

Basic information

• Product Name: alliin
• Synonyms: S-ALLYL-L-CYSTEINESULPHOXIDE;Alanine, 3-(2-propenylsulfinyl)-;Pcso;S-(2-Propenyl)cysteine sulfoxide;S-Allylcysteine sulfoxide;XUHLIQGRKRUKPH-UHFFFAOYSA-N
• CAS NO: 17795-27-6
• Molecular Formula: C₆H₁₁NO₃S
• Molecular Weight: 177.22
• EINECS: 209-118-9
• Mol File: 17795-27-6.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 416.1°C at 760 mmHg
• Flash Point: 205.5°C
• Appearance: /
• Density: 1.354g/cm³
• Vapor Pressure: 4.32E-08mmHg at 25°C
• Refractive Index: 1.579
• CAS DataBase Reference: alliin(CAS DataBase Reference)
• NIST Chemistry Reference: alliin(17795-27-6)
• EPA Substance Registry System: alliin(17795-27-6)

Safety Data

• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:
• Safety Statements: S26:
• Hazardous Substances Data: 17795-27-6(Hazardous Substances Data)

Usage

General Description

Alliin is a sulfur-containing compound found in garlic. When garlic is chopped or crushed, the enzyme alliinase converts alliin into allicin, which is responsible for the characteristic smell and taste of garlic. Allicin is also known for its potential health benefits, including anti-inflammatory, antioxidant, and antibacterial properties. Additionally, alliin has been studied for its potential to lower blood pressure, reduce cholesterol levels, and improve immune function. These potential health benefits have made alliin and allicin the subject of numerous research studies and have led to their use in various natural supplements and remedies.

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?/m0/s1

Upstream product

• 49621-03-6 S-propenyl-L-cysteine 
• 52467-58-0 S-allyl-N-formyl-DL-cysteine 
• 770742-93-3 (S)-3-(allylthio)-2-aminopropanoic acid 
• 21593-77-1 S-allyl cysteine 

Downstream Products

• 23127-41-5 (2R)-2-(acetylamino)-3-(prop-2-en-1-ylsulfanyl)propanoic acid 
• 21593-77-1 S-allyl cysteine 
• 17795-24-3 (+/-)-S-propyl-L-cysteine sulfoxide 
• 539-86-6 allicin 
• 127-17-3 2-oxo-propionic acid 
• 49621-03-6 S-propenyl-L-cysteine 
• 554-44-9 N-(2-allyldisulfanyl-4-hydroxy-1-methyl-but-1-en-t-yl)-N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-formamide 

Relevant articles and documents

Type of complex-BSA binding forces affected by different coordination modes of alliin in novel water-soluble ruthenium complexes

Three novel water-soluble ruthenium complexes having differently bound alliin ligands were prepared by solution synthesis and characterized by chemical analysis, and infrared, mass, nuclear magnetic resonance and electron paramagnetic resonance spectrosco

Changes of S-Allylmercaptocysteine and γ-Glutamyl- S-allylmercaptocysteine Contents and Their Putative Production Mechanisms in Garlic Extract during the Aging Process

γ-Glutamyl-S-allylmercaptocysteine (GSAMC), a putative precursor compound of S-allylmercaptocysteine (SAMC), was isolated and identified from aged garlic extract (AGE). We analyzed the change of their contents in AGE during the aging process, chronologica

IMPROVEMENTS IN OR RELATING TO ALLIUM EXTRACTS

The present invention relates to improvements in or relating to Allium extracts. In particular, it relates to improvements in or relating to extending the therapeutic half- life or duration of Allium extracts. The invention also relates to the synthesis of certain thiosulfinate compounds, especially to the synthesis of methyl allyl thiosulfinate and allyl methyl thiosulfinate, in particular from either methiin or alliin alone or a mixture of both. The invention further relates to the synthesis of methyl allyl thiosulfinate, allyl methyl thiosulfinate, allicin, and methyl methyl thiosulfinate in a mixture with varying molar or mass ratios depending on the reaction conditions, in particular from either methiin or alliin alone or a mixture of both. A high yielding, optimized synthesis of allicin starts from alliin, whereas methyl methyl thiosulfinate is advantageously obtained from methiin. Also provided is a kit comprising methiin in a first container and/or alliin in a second container and an allinase source, in particular garlic powder in a third container. Finally, the invention provides a method of preparing a mixture of methyl allyl thiosulfinate, allyl methyl thiosulfinate, allyl allyl thiosulfinate (allicin) and methyl methyl thiosulfinate from methiin and pieces of an Allium species.