Allicin

Description

Allicin · CAS 539-86-6 · C6H10OS2. UNII 3C39BY17Y6. Melting Point: 25 °C; Solubility: 24 mg/mL at 10 °C.

Identification

CAS Registry Number	539-86-6
PubChem CID	65036
Molecular formula	C6H10OS2
IUPAC name	3-prop-2-enylsulfinylsulfanylprop-1-ene
UNII (FDA)	3C39BY17Y6

Computed Descriptors

Molecular Weight	162.3
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	162.01730729
Monoisotopic Mass	162.01730729
Topological Polar Surface Area	61.6
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Melting Point	25 °C
Solubility	24 mg/mL at 10 °C

Physical description & handling notes

• Solid

GHS Hazard Classification

Reported hazard statements	H315 (100%), H319 (100%), H335 (100%)

Documented Uses

• Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
• Substances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.
• Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
• Substances which lower blood glucose levels.
• Substances that eliminate free radicals. Among other effects, they protect PANCREATIC ISLETS against damage by CYTOKINES and prevent myocardial and pulmonary REPERFUSION INJURY.
• DADSO is a known human metabolite of diallyl disulfide.

Synonyms

Allicin; 539-86-6; Diallyl thiosulfinate; Thio-2-propene-1-sulfinic acid S-allyl ester; Allylthiosulphinic acid allyl ester; 3-prop-2-enylsulfinylsulfanylprop-1-ene; 2-Propene-1-sulfinothioic acid S-2-propenyl ester; DTXSID6043707; 3C39BY17Y6; CHEBI:28411; 3-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene; 3-((prop-2-ene-1-sulfinyl)sulfanyl)prop-1-ene; RefChem:5523; DTXCID4023707; 208-727-7; S-allyl prop-2-ene-1-sulfinothioate

Frequently Asked Questions

What are the CAS number and molecular formula of Allicin?

CAS 539-86-6; molecular formula C6H10OS2; molecular weight — g/mol.

What other names is Allicin known by?

Allicin, 539-86-6, Diallyl thiosulfinate, Thio-2-propene-1-sulfinic acid S-allyl ester, Allylthiosulphinic acid allyl ester, 3-prop-2-enylsulfinylsulfanylprop-1-ene.

Is Allicin classified as hazardous?

Hazard statements reported: H315, H319, H335.

What are the key physical properties of Allicin?

Melting Point: 25 °C; Solubility: 24 mg/mL at 10 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.