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General Material Information

Preferred name allyl methyl disulfide
Trivial Name Allyl methyl disulfide
Short Description 3-(methyldisulfanyl)-1-propene
Formula C4 H8 S2
CAS Number 2179-58-0
FEMA Number 3127
Flavis Number 12.037
ECHA Number 218-549-1
FDA UNII OXW45UTR7B
Nikkaji Number J45.899F
MDL MFCD00040023
COE Number 11866
xLogP3-AA 1.60 (est)
NMR Predictor External link
JECFA Food Flavoring 568 allyl methyl disulfide
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 2179-58-0 ; ALLYL METHYL DISULFIDE
Synonyms
  • allyl methyl disulphide
  • disulfide, allyl methyl
  • disulfide, methyl 2-propen-1-yl
  • disulfide, methyl 2-propenyl
  • 4,5-dithia-1-hexene
  • methyl 2-allyl disulfide
  • methyl 2-propenyl disulfide
  • methyl allyl disulfide
  • methyl prop-2-en-1-yl disulfide
  • methylallyl disulphide
  • 3-( methyldisulfanyl)-1-propene
  • 3-( methyldisulfanyl)prop-1-ene
  • 3-methyldisulfanylprop-1-ene
  • 3-( methyldithio)prop-1-ene
  • 3-methyldisulfanylprop-1-ene
  • 2-Propenyl methyl disulfide

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

3-methyldisulfanylprop-1-ene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2179-58-0
Pubchem (cid):62434
Pubchem (sid):135021148
Publications by PubMed
Metabolism and pharmacokinetics studies of allyl methyl disulfide in rats
Chemical composition and bioactive compounds of garlic (Allium sativum L.) as affected by pre- and post-harvest conditions: A review
Protective effect of allyl methyl disulfide on acetaminophen-induced hepatotoxicity in mice
Allyl methyl disulfide inhibits IL-8 and IP-10 secretion in intestinal epithelial cells via the NF-?B signaling pathway
Computational study of the hydrogen peroxide scavenging mechanism of allyl methyl disulfide, an antioxidant compound from garlic
Bioactivities of methyl allyl disulfide and diallyl trisulfide from essential oil of garlic to two species of stored-product pests, Sitophilus zeamais (Coleoptera: Curculionidae) and Tribolium ca
Electrophysiological and behavioral responses of Bradysia odoriphaga (Diptera: Sciaridae) to volatiles from its Host Plant, Chinese Chives (Allium tuberosum Rottler ex Spreng)
Effect of milk on the deodorization of malodorous breath after garlic ingestion
Impact of proteins and polysaccharides on flavor release from oil-in-water emulsions during simulated cooking
Deodorization of Garlic Breath by Foods, and the Role of Polyphenol Oxidase and Phenolic Compounds
Deodorization of garlic breath volatiles by food and food components
Composition and immunotoxicity activity of major essential oils from stems of Allium victorialis L. var. platyphyllum Makino against Aedes aegypti L
Encapsulation and controlled release of hydrophobic flavors using biopolymer-based microgel delivery systems: Sustained release of garlic flavor during simulated cooking
Identification of characteristic aroma components of Thai fried chili paste
Effects of organosulfur compounds from garlic and onions on benzo[a]pyrene-induced neoplasia and glutathione S-transferase activity in the mouse
Thermochemical transformation of sulfur compounds in Japanese domestic Allium, Allium victorialis L
Emulsion-based control of flavor release profiles: Impact of oil droplet characteristics on garlic aroma release during simulated cooking
Composition of the Essential Oil of Allium neapolitanum Cirillo Growing Wild in Sicily and its Activity on Microorganisms Affecting Historical Art Crafts
Sulfur volatiles from Allium spp. affect Asian citrus psyllid, Diaphorina citri Kuwayama (Hemiptera: Psyllidae), response to citrus volatiles
In situ solvothermal growth of metal-organic framework-5 supported on porous copper foam for noninvasive sampling of plant volatile sulfides
Inhibition of N-nitrosodiethylamine carcinogenesis in mice by naturally occurring organosulfur compounds and monoterpenes
Evaluation of acute toxicity of essential oil of garlic (Allium sativum) and its selected major constituent compounds against overwintering Cacopsylla chinensis (Hemiptera: Psyllidae)
Differentiation of mouth versus gut as site of origin of odoriferous breath gases after garlic ingestion
Effects of spice constituents on P-glycoprotein-mediated transport and CYP3A4-mediated metabolism in vitro
Significant inhibition of garlic essential oilon benzo[a]pyrene formation in charcoal-grilled pork sausagesrelates to sulfide compounds
Pemphigus and dietary factors. In vitro acantholysis by allyl compounds of the genus Allium
Use of Multiple Bacteriophage-Based Structural Color Sensors to Improve Accuracy for Discrimination of Geographical Origins of Agricultural Products

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
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
KEGG (GenomeNet):C08383
HMDB (The Human Metabolome Database):HMDB41389
FooDB:FDB021321
Export Tariff Code:2930.90.9190
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Allyl methyl disulfide

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 120.23776245117
Boiling Point 30 to 33°C @ 20 mm Hg
Boiling Point 83 to 84°C @ 170 mm Hg
Vapor Pressure 7.329 mmHg @ 25 °C
Flash Point TCC Value 35 °C TCC
logP (o/w) 2.871 est
Solubility
alcohol Yes
water, slightly Yes
water, 477.1 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Sulfurous
alliaceous, garlic, onion green onion
General comment At 0.10 % in propylene glycol. alliaceous garlic green onion

Occurrences

Potential Uses

Applications
Flavoring purposes Coffee, Fruit tropical fruit, Garlic, Leek, Onion, Shallot

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37 - Irritating to eyes and respiratory system.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 23 - Do not breath vapour.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
IFRA Purity Specification:
Recommendation for allyl methyl disulfide usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Structure Class: II
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 4
Click here to view publication 4
average usual ppmaverage maximum ppm
baked goods: -1.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -1.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -1.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -1.00000
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on the safety and efficacy of aliphatic and aromatic mono- and di-thiols and mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups (chemical group 20) when used as flavourings for all animal species
View page or View pdf

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 :62434
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
3-methyldisulfanylprop-1-ene
Chemidplus:0002179580