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Sulfur and phosphorus compounds

Allicin

Also known as Diallyl thiosulfinate, Thio-2-propene-1-sulfinic acid S-allyl ester, Allylthiosulphinic acid allyl ester

CAS 539-86-6Formula C6H10OS2Molar mass 162.28 g/molEC 208-727-7
GHS signal word: Warning. Pictograms: Harmful or irritant 50 suppliers listed
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Allicin chemical structure, C6H10OS2, CAS 539-86-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
539-86-6
Formula
C6H10OS2
Molar mass
162.28 g/mol
EC number
208-727-7
HS code
293090
Category
Sulfur and phosphorus compounds

What is Allicin?

Plain description, key identifiers and synonyms

Allicin is a sulfoxide and a botanical anti-fungal agent. It has a role as an antibacterial agent.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-prop-2-enylsulfinylsulfanylprop-1-ene
CAS number
539-86-6 CAS number cross-checked
EC number
208-727-7
Molecular formula
C6H10OS2
UNII
3C39BY17Y6
MDL number
MFCD00468100
InChIKey
JDLKFOPOAOFWQN-UHFFFAOYSA-N
InChI
InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
SMILES (canonical and isomeric)
C=CCSS(=O)CC=C

Synonyms

  • 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
  • 3-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene
  • 3-((prop-2-ene-1-sulfinyl)sulfanyl)prop-1-ene
  • S-allyl prop-2-ene-1-sulfinothioate
  • Diallyldisulfid-S-oxid
  • 2-Propene-1-sulfinothioic acid, S-2-propenyl ester
  • S-Allyl acrylo-1-sulphinothioate
  • DADSO
  • S-allyl 2-propene-1-sulfinothioate
  • 2-propene-1-sulfinothioic acid
  • 3-allylsulfinylsulfanylprop-1-ene
  • Allicin (Allyl-S(O)S-Allyl)
  • 2-Propene-1-sulfinic acid, thio-, S-allyl ester
  • 2-Propene-1-sulfinothioic acid S-allyl ester
  • allimin
  • diallyl disulfide-oxide
  • Allimed
  • allylthiosulfinate
  • alicin
  • Dianyctrsnlgide
  • Allisatin
Show all 36 synonyms
  • Allicin kit
  • diallylthiosulfinate
  • diallyl dithiosulfinate
  • 2-Propene-1-sulfinothioic Acid S-2-Propen-1-yl Ester
  • Allicin, tech. grade
  • Diallyldisulfid-S-oxide
  • Allicin (not validated)
  • Dianyctrsnlgide, Allisatin
  • Allicin, aqueous solution
  • Allicin(tech grade)
  • 4-04-00-00007 (Beilstein Handbook Reference)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
162.28 g/molcalc.
Exact mass
162.0173 Dacalc.
LogP (octanol/water)
1.76calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
5calc.
Heavy atoms
9calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Allicin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Where suppliers are based

50 suppliers in 11 countries

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Allicin price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Anti-Infective Agents
  • Antioxidants
  • Free Radical Scavengers
  • Hypoglycemic Agents
  • Hypolipidemic Agents

Roles

  • antibacterial agent
  • antimicrobial agent
  • antineoplastic agent
  • pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Allicin is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Allicin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Allicin, based on the data on this page

What is Allicin?

Allicin is a sulfoxide and a botanical anti-fungal agent. It has a role as an antibacterial agent.

What is the CAS number of Allicin?

The CAS registry number of Allicin is 539-86-6.

What is the molecular formula and weight of Allicin?

The molecular formula of Allicin is C6H10OS2 and its molar mass is 162.28 g/mol.

What is Allicin used for?

Known uses and roles of Allicin include building blocks in research and laboratory, antibacterial agent, antimicrobial agent, antineoplastic agent, pharmaceutical and 5 more.

Is Allicin hazardous?

Allicin carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Allicin?

Allicin is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Allicin?

CompoundList lists 50 suppliers of Allicin in China, United States, Czech Republic, Germany and 7 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Allicin in India?

1 supplier in India list Allicin on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Allicin?

Suppliers quote Allicin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Allicin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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