EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes


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CAS Number: 539-86-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-727-7
Nikkaji Web:J71.032F
Beilstein Number:1752823
XlogP3-AA:1.30 (est)
Molecular Weight:162.27490000
Formula:C6 H10 O S2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.11200 @ 20.00 °C.
Refractive Index:1.56100 @ 20.00 °C.
Boiling Point: 248.60 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.038000 mmHg @ 25.00 °C. (est)
Flash Point: 219.00 °F. TCC ( 104.20 °C. ) (est)
logP (o/w): 1.133 (est)
Soluble in:
 water, 2.40E+04 mg/L @ 10 °C (exp)
 water, 1693 mg/L @ 25 °C (est)
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
Diallyl thiosulfinate >98%
Odor: characteristic
Use: Source from bulb of Allium sativum L. Extracts of fresh garlic are more potent inhibitors of Staphylococcus epidermidis biofilms than pure Allicin, but Allicin exerts a unique bactericidal effect on biofilm-embedded bacteria.
For experimental / research use only.
Charkit Chemical
Santa Cruz Biotechnology
For experimental / research use only.
Safety Information:
Preferred SDS: View
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intravenous-mouse LD50 60 mg/kg
Journal of the American Chemical Society. Vol. 66, Pg. 1950, 1944.

Dermal Toxicity:
subcutaneous-mouse LD50 120 mg/kg
Journal of the American Chemical Society. Vol. 66, Pg. 1950, 1944.

Inhalation Toxicity:
Not determined
Safety in Use Information:
natural substances and extractives
IFRA Purity Specification: < 0.1% free allyl alcohol
Recommendation for allicin usage levels up to:
 not for fragrance use.
Recommendation for allicin flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :65036
National Institute of Allergy and Infectious Diseases:Data
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):65036
Pubchem (sid):135023252
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
KEGG (GenomeNet):C07600
HMDB (The Human Metabolome Database):HMDB33963
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
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 garlic bulb
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 garlic oil
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 onion bulb
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S-allyl 2-propene-1-sulfinothioate
S-allyl acrylo-1-sulfinothioate
S-allyl acrylo-1-sulphinothioate
S-allyl prop-2-ene-1-sulfinothioate
 allyl sulfinyl-allyl sulfide
 allyl thiosulfinic acid allyl ester
 allylthiosulphinic acid allyl ester
 diallyl thiosulfinate
S-prop-2-en-1-yl prop-2-ene-1-sulfinothioate
2-propene-1-sulfinic acid, thio-, S-allyl ester
2-propene-1-sulfinothioic acid S-2-propenyl ester
2-propene-1-sulfinothioic acid, S-2-propen-1-yl ester
2-propene-1-sulfinothioic acid, S-2-propenyl ester (9CI)
 thio-2-propene-1-sulfinic acid S-allyl ester
antibacterial principle of allium sativum (garlic); th - ciaf. Isol. from garlic (Allium sativum). Nutriceutical Allicin is an organic compound obtained from garlic. It is also obtainable from onions, and other species in the family Alliaceae. It was first isolated and studied in the laboratory by Chester J. Cavallito in 1944. This colourless liquid has a distinctively pungent smell. This compound exhibits antibacterial and anti-fungal properties. Allicin is garlic's defence mechanism against attacks by pests.
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