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

allicin

Supplier Sponsors

Name:3-prop-2-enylsulfinylsulfanylprop-1-ene
CAS Number: 539-86-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-727-7
FDA UNII:3C39BY17Y6
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
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI: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 mm/Hg @ 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 Description:garlic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
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.
Carbosynth
For experimental / research use only.
Allicin
Charkit Chemical
GARLIC 1% ALLICIN GRANULAR
Santa Cruz Biotechnology
For experimental / research use only.
Allicin
 
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
 
Pictogram
 
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:
Category: 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
ClinicalTrials.gov:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :65036
National Institute of Allergy and Infectious Diseases:Data
3-prop-2-enylsulfinylsulfanylprop-1-ene
Chemidplus:0000539866
 
References:
 3-prop-2-enylsulfinylsulfanylprop-1-ene
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):65036
Pubchem (sid):135023252
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C07600
HMDB (The Human Metabolome Database):HMDB33963
FooDB:FDB012190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 garlic
Search Trop Picture
 garlic bulb
Search Trop Picture
 garlic oil
Search Trop Picture
 onion
Search Trop Picture
 onion bulb
Search Trop Picture
 
Synonyms:
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
3-prop-2-enylsulfinylsulfanylprop-1-ene
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
 
 
Notes:
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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