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Sulfur Compounds (Thiols, Sulfides, Sulfonates)

Alliin

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Buy Alliin (CAS 556-27-4) from Zemixal: C6H11NO3S, COA and SDS with every lot, worldwide shipping. Quotes within one business day.

Pack sizes
Alliin chemical structure
CAS number556-27-4
FormulaC6H11NO3S
Molar mass177.22 g/mol
InChIKeyXUHLIQGRKRUKPH-DYEAUMGKSA-N
IUPAC name(2R)-2-amino-3-[(S)-prop-2-enylsulfinyl]propanoic acid

About Alliin

Zemixal supplies Alliin within its pharma Intermediates & Building Blocks portfolio. Identity at a glance: CAS 556-27-4, formula C6H11NO3S and molar mass 177.22 g/mol.

Where it is used

  • Organic synthesis
  • API synthesis

Safe handling

It carries the GHS signal word Warning (H315, H319 and H335), so wear gloves and eye protection and work with good ventilation.

Order it in 100 mg, 250 mg, 1 g and 5 g packs or ask for a bulk quotation. You receive a batch certificate of analysis and a 16-section SDS with each order. Request pricing online and we confirm availability, documentation and freight to your country.

Typical uses

  • Organic synthesis
  • API synthesis

Applications

Specifications and identifiers

Specifications of Alliin
Product nameAlliin
Catalogue numberZX-027926
CAS number556-27-4
IUPAC name(2R)-2-amino-3-[(S)-prop-2-enylsulfinyl]propanoic acid
Molecular formulaC6H11NO3S
Molar mass177.22 g/mol
Exact mass177.046
XLogP3-3.5
H-bond donors / acceptors2 / 5
Topological polar surface area99.6 Ų
InChIKeyXUHLIQGRKRUKPH-DYEAUMGKSA-N
SMILESC=CC[S@](=O)C[C@@H](C(=O)O)N
PubChem CID9576089
Synonyms(+)-L-Alliin, (S)-3-(Allylsulphinyl)-L-alanine, 3-(Allylsulfinyl)alanine, S-Allyl-L-cystein-S-oxide, S-Allyl-L-cysteine-(+)-sulfoxide, Alanine, 3-(allylsulfinyl)-, (S)-S-Allyl-L-cysteine sulfoxide, L-Alanine, 3-(2-propenylsulfinyl)-, (S)-, L-Cysteine, S-2-propen-1-yl-, S-oxide, (S(S))-, S-Allylcysteine sulfoxide, (2R)-2-amino-3-prop-2-enylsulfinylpropanoic acid, S-(2-Propenyl)cysteine sulfoxide

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

GHS07 Irritant or harmful
Irritant or harmful

Signal word Warning

  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H335May cause respiratory irritation

Precautionary statements P261, P264, P264 + P265, P271, P280, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of Alliin
100 mgQuoted on request
250 mgQuoted on request
1 gQuoted on request
5 gQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about Alliin

Which CAS number identifies Alliin?
Alliin is registered under CAS 556-27-4. You may also see it listed as (+)-L-Alliin, (S)-3-(Allylsulphinyl)-L-alanine, 3-(Allylsulfinyl)alanine. Our catalogue number for this item is ZX-027926.
What are the formula and molar mass of Alliin?
For Alliin, its formula is C6H11NO3S and its molar mass is 177.22 g/mol. The systematic (IUPAC) name is (2R)-2-amino-3-[(S)-prop-2-enylsulfinyl]propanoic acid. InChIKey XUHLIQGRKRUKPH-DYEAUMGKSA-N lets you match it in any structure database.
What grade and pack sizes are available for Alliin?
The grade and assay are confirmed on the quotation and the batch COA. Standard packs are 100 mg, 250 mg, 1 g, 5 g. Larger quantities and custom packing can be quoted on request.
Which documents come with Alliin?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship Alliin to my country?
Yes. Because Alliin is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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