Allicin

Name: Allicin
Brand: Vaqora Chemicals
SKU: VQ-029064

About Allicin

Allicin (CAS 539-86-6) is a high-purity reference standard of Allicin offered by Vaqora Chemicals. The compound has the formula C6H10OS2, corresponding to a molecular weight of 162.3 g/mol. Its systematic (IUPAC) name is 3-prop-2-enylsulfinylsulfanylprop-1-ene. Alternative names: S-Allyl prop-2-ene-1-sulfinothioate and Diallyl Thiosulfinate.

It is supplied as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

As a reference sample of Allicin, it is used for identification, assay and impurity-profiling work during analytical method development, validation (AMV) and routine QC. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

Vaqora Chemicals supplies Allicin in 10 mg, 25 mg, 50 mg and 100 mg packs, each shipped with a Certificate of Analysis (COA), and exports worldwide.

Typical applications

Identification & assay
Method development & validation
QC reference material
Fine chemical synthesis

Industries

Related to Allicin

View every impurity, metabolite and intermediate we list for Allicin.

Allicin impurities

Specifications & identifiers

Chemical identifiers
Product name	Allicin
Catalogue No.	VQ-029064
CAS Number	539-86-6
IUPAC name	3-prop-2-enylsulfinylsulfanylprop-1-ene
Molecular formula	C₆H₁₀OS₂
Molecular weight	162.3 g/mol
Exact mass	162.0173
Grade	Reference Standard
HSN code	38229090
InChIKey	JDLKFOPOAOFWQN-UHFFFAOYSA-N
SMILES	C=CCSS(=O)CC=C
PubChem CID	65036

Physical properties
Physical form	Solid
LogP (XLogP3)	1.3
H-bond donors / acceptors	0 / 3
TPSA	61.6 Å²
Synonyms	S-Allyl prop-2-ene-1-sulfinothioate, Diallyl Thiosulfinate, Thio-2-propene-1-sulfinic acid S-allyl ester, Allylthiosulphinic acid allyl ester, 2-Propene-1-sulfinothioic acid S-2-propenyl ester, 3-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene, 3-((prop-2-ene-1-sulfinyl)sulfanyl)prop-1-ene, Diallyldisulfid-S-oxid, 2-Propene-1-sulfinothioic acid, S-2-propenyl ester, S-Allyl acrylo-1-sulphinothioate, S-allyl 2-propene-1-sulfinothioate

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

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 is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Allicin?

The CAS Registry Number of Allicin is 539-86-6. It is also known as S-Allyl prop-2-ene-1-sulfinothioate, Diallyl Thiosulfinate, Thio-2-propene-1-sulfinic acid S-allyl ester.

What is the molecular formula and molecular weight of Allicin?

Allicin has the molecular formula C6H10OS2 and a molecular weight of 162.3 g/mol. Its IUPAC name is 3-prop-2-enylsulfinylsulfanylprop-1-ene.

What is Allicin used for?

Allicin is supplied as a characterised reference material related to Allicin. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of Allicin can I order?

We supply Allicin in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Allicin?

Yes. Every lot of Allicin is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Allicin be shipped internationally?

Yes. Allicin is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.