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allyl methyl sulfide

Chemical Structure

General Material Information

Preferred name allyl methyl sulfide
Trivial Name Allyl methyl sulfide
Short Description 3-(methylthio)-1-propene
Formula C4 H8 S
CAS Number 10152-76-8
Flavis Number 12.096
ECHA Number 233-422-0
FDA UNII V7QI1R316C
Nikkaji Number J35.931I
MDL MFCD00008657
COE Number 11429
xLogP3-AA 1.50 (est)
NMR Predictor External link
Synonyms
  • allyl methyl sulphide
  • allylmethylsulfide
  • methyl allyl sulfide
  • methyl prop-2-en-1-yl sulfide
  • methyl propenyl sulfide
  • 3-( methyl thio)-1-propene
  • 3-( methylsulfanyl)prop-1-ene
  • 3-methylsulfanylprop-1-ene
  • 3-methylthio-1-propene
  • 3-( methylthio)-1-propene
  • prop-1-ene, 3-(methylthio)-
  • 1-propene, 3-(methylthio)-
  • 2-propenyl methyl sulfide
  • sulfide, allyl methyl
  • 3-methylsulfanylprop-1-ene
  • 1-Propene, 3-(methylthio)-
  • 3-(Methylthio)-1-propene
  • 3-(Methylthio)propene
  • Methyl 2-propenyl sulfide
  • 2-Propenyl methyl sulfide
  • Allyl methyl thioether
  • 1-(Methylthio)-2-propene
  • Methyl allyl thioether
  • Allyl(methyl)sulfane

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Literature & References

3-methylsulfanylprop-1-ene
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):66282
Pubchem (sid):135025568
Publications by PubMed
Garlic
Allicin Bioavailability and Bioequivalence from Garlic Supplements and Garlic Foods
Quantification of Allyl Methyl Sulfide, Allyl Methyl Sulfoxide, and Allyl Methyl Sulfone in Human Milk and Urine After Ingestion of Cooked and Roasted Garlic
Biomarkers of food intake for Allium vegetables
Metabolism and pharmacokinetics studies of allyl methyl disulfide in rats
Measurement of diallyl disulfide and allyl methyl sulfide emanating from human skin surface and influence of ingestion of grilled garlic
Quantification of Volatile Metabolites Derived From Garlic (Allium sativum) in Human Urine
Quantification of selected volatile organic compounds in human urine by gas chromatography selective reagent ionization time of flight mass spectrometry (GC-SRI-TOF-MS) coupled with head-space soli
Oxidation-Triggerable Liposome Incorporating Poly(Hydroxyethyl Acrylate-co-Allyl methyl sulfide) as an Anticancer Carrier of Doxorubicin
Fatty Acid Composition and Applications of Eriobotrya japonica Seed Oil
[Research on volatiles of rakkyo (Allium Chinense G. Don) and Chinese chive (Allium Tuberosum Rottl. ex Sprengel) based on headspace and the molecular recognition of SERS]
Characterization of key aroma compounds in aged garlic extract
Anticarcinogenic properties of garlic: a review
Identification and Quantification of Volatile Ramson-Derived Metabolites in Humans
Allyl methyl sulfide, an organosulfur compound alleviates hyperglycemia mediated hepatic oxidative stress and inflammation in streptozotocin - induced experimental rats
Analysis of Breath Specimens for Biomarkers of Plasmodium falciparum Infection
Allyl methyl sulfide, a garlic active component mitigates hyperglycemia by restoration of circulatory antioxidant status and attenuating glycoprotein components in streptozotocin-induced experiment
Effect of milk on the deodorization of malodorous breath after garlic ingestion
Deodorization with ku-ding-cha containing a large amount of caffeoyl quinic acid derivatives
Deodorization of Garlic Breath by Foods, and the Role of Polyphenol Oxidase and Phenolic Compounds
Layered double hydroxide/poly(vinylpyrrolidone) coated solid phase microextraction Arrow for the determination of volatile organic compounds in water
Quantification of volatile metabolites derived from garlic in human breast milk
Deodorization of garlic breath volatiles by food and food components
Do garlic-derived allyl sulfides scavenge peroxyl radicals?
Primary screening and application of repellent plant volatiles to control tea leafhopper, Empoasca onukii Matsuda
Mechanisms of the preventive properties of some garlic components in the carbon tetrachloride-promoted oxidative stress. Diallyl sulfide; diallyl disulfide; allyl mercaptan and allyl methyl sulfide
Volatile sulphur compounds and pathways of L-methionine catabolism in Williopsis yeasts
Kinetic characterizations of diallyl sulfide analogs for their novel role as CYP2E1 enzyme inhibitors
Reactivity of allyl methyl sulphide, the in-vitro metabolite of garlic, with some amino acids and with phospholipid involved in viral infections
Detection of Volatile Metabolites of Garlic in Human Breast Milk
[Study of volatile organic compounds of fresh allium species using headspace combined with surface-enhanced Raman scattering]
[Clinical and pathologic features of tonsil-associated skin-bone-joint-kidney diseases]
Screening of organosulfur compounds as inhibitors of human CYP2A6
Garlic Influences Gene Expression In Vivo and In Vitro
A Miniature Gas Sampling Interface with Open Microfluidic Channels: Characterization of Gas-to-Liquid Extraction Efficiency of Volatile Organic Compounds
In vitro evaluation of structural analogs of diallyl sulfide as novel CYP2E1 inhibitors for their protective effect against xenobiotic-induced toxicity and HIV replication
Allicin and allicin-derived garlic compounds increase breath acetone through allyl methyl sulfide: use in measuring allicin bioavailability
Modulation of cytochrome P450 enzymes by organosulfur compounds from garlic
Novel Sulfur Metabolites of Garlic Attenuate Cardiac Hypertrophy and Remodeling through Induction of Na(+)/K(+)-ATPase Expression
Actinobacillus pleuropneumoniae is impaired by the garlic volatile allyl methyl sulfide (AMS) in vitro and in-feed garlic alleviates pleuropneumonia in a pig model
Detection of Volatile Metabolites Derived from Garlic (Allium sativum) in Human Urine
Allylmethylsulfide, a Sulfur Compound Derived from Garlic, Attenuates Isoproterenol-Induced Cardiac Hypertrophy in Rats
In vivo metabolism of diallyl disulphide in the rat: identification of two new metabolites
Allyl Methyl Sulfide Preserved Pressure Overload-Induced Heart Failure Via Modulation of Mitochondrial Function
Product ion distributions for the reactions of NO(+) with some physiologically significant volatile organosulfur and organoselenium compounds obtained using a selective reagent ionization time-of-f
Enhancement by organosulfur compounds from garlic and onions of diethylnitrosamine-induced glutathione S-transferase positive foci in the rat liver
Remotely triggered scaffolds for controlled release of pharmaceuticals
Asymmetric copper-catalyzed
Effect of Fresh Garlic on Lipid Oxidation and Microbiological Changes of Pork Patties during Refrigerated Storage
A non-invasive method for in vivo skin volatile compounds sampling
Composition, stability, and bioavailability of garlic products used in a clinical trial
Mammary cancer prevention by regular garlic and selenium-enriched garlic
Determination of urine-derived odorous compounds in a source separation sanitation system
Volatile sulfur compounds in human expiration after eating raw or heat-treated garlic
Differentiation of mouth versus gut as site of origin of odoriferous breath gases after garlic ingestion
Blood and breath profiles of volatile organic compounds in patients with end-stage renal disease
Inhibition of heterocyclic aromatic amine formation in fried ground beef patties by garlic and selected garlic-related sulfur compounds
Significant inhibition of garlic essential oilon benzo[a]pyrene formation in charcoal-grilled pork sausagesrelates to sulfide compounds
"Masked" Lewis-acidity of an aluminum à-phosphinoamide complex
In situ solvothermal growth of metal-organic framework-5 supported on porous copper foam for noninvasive sampling of plant volatile sulfides
Naturally occurring diallyl disulfide inhibits the formation of carcinogenic heterocyclic aromatic amines in boiled pork juice
Photoionization-Generated Dibromomethane Cation Chemical Ionization Source for Time-of-Flight Mass Spectrometry and Its Application on Sensitive Detection of Volatile Sulfur Compounds
Diallylsulfide and allylmethylsulfide are uniquely effective among organosulfur compounds in inhibiting CYP2E1 protein in animal models
The determination of metabolites of garlic preparations in breath and human plasma
Comparative study of extraction techniques for determination of garlic flavor components by gas chromatography-mass spectrometry
Modulation of cytokine secretion by garlic oil derivatives is associated with suppressed nitric oxide production in stimulated macrophages
Metabolites of diallyl disulfide and diallyl sulfide in primary rat hepatocytes
Determination of allicin, S-allylcysteine and volatile metabolites of garlic in breath, plasma or simulated gastric fluids
Differential effects of organosulfur compounds from garlic oil on nitric oxide and prostaglandin E2 in stimulated macrophages
Garlic components inhibit angiotensin II-induced cell-cycle progression and migration: Involvement of cell-cycle inhibitor p27(Kip1) and mitogen-activated protein kinase
Post-fasting olfactory, transcriptional, and feeding responses in Drosophila
Radioprotective activity of naturally occurring organosulfur compounds
Effect of alkyl sulfides on diazomethane-induced methylation of DNA in vitro
Volatile organic compounds of Schenella pityophilus
Inhibition of cytochrome P4502E1 expression by organosulfur compounds allylsulfide, allylmercaptan and allylmethylsulfide in rats
Low allicin release from garlic supplements: a major problem due to the sensitivities of alliinase activity
Modulation of rat hepatic cytochrome P-450 activity by garlic organosulfur compounds
Intake of New Zealand Blackcurrant Powder Affects Skin-Borne Volatile Organic Compounds in Middle-Aged and Older Adults
Ajoene exerts potent effects in 3T3-L1 adipocytes by inhibiting adipogenesis and inducing apoptosis
Allylmethylsulfide Down-Regulates X-Ray Irradiation-Induced Nuclear Factor-kappaB Signaling in C57/BL6 Mouse Kidney
Enhanced expression of rat microsomal epoxide hydrolase gene by organosulfur compounds
Fragmentation of allylmethylsulfide by chemical ionization: dependence on humidity and inhibiting role of water
Design and synthesis of novel oxindoles as potential non-nucleosidic reverse transcriptase inhibitors against HIV
A preliminary study on the action of genus Allium on thyroid 131iodide uptake in rats

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
CHEBI:View
HMDB (The Human Metabolome Database):HMDB31653
FooDB:FDB008313
Export Tariff Code:2930.90.9999
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 88.172760009766
Specific gravity @ 25 °C
Pounds per Gallon 7.273 to 7.322
Refractive Index 1.468 to 1.474 @ 20 °C
Boiling Point 92 to 93°C @ 760 mm Hg
Vapor Pressure 68.372002 mmHg @ 25 °C
Flash Point TCC Value 17.78 °C TCC
logP (o/w) 1.53 est
Solubility
alcohol Yes
water, 3910 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Sulfurous
alliaceous, garlic, onion
General comment At 0.10 % in propylene glycol. alliaceous garlic onion
Flavor Type: Garlic
sulfurous, alliaceous, onion, savory
General comment Sulfurous alliaceous onion savory
The only component of natural garlic oil that is not FEMA. Used is in alliaceous flavours (onion, garlic, leek); and in savoury, soup, meat and seafood flavours. Garlic

Occurrences

Potential Uses

Applications
Flavoring purposes Coffee, Fruit tropical fruit, Garlic, Leek, Meat, Onion, Seafood, Soup

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 11 - Highly flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 03/07 - Keep container tightly closed in cool place.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 33 - Take precautionary measures against static discharge.
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 sulfide usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.99 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 78 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.200001.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.100000.50000
Edible ices, including sherbet and sorbet (03.0): 0.200001.00000
Processed fruit (04.1): 0.200001.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.200001.00000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.100000.50000
Bakery wares (07.0): 0.200001.00000
Meat and meat products, including poultry and game (08.0): 0.100000.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.20000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.100000.30000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.200001.00000
Ready-to-eat savouries (15.0): 0.400002.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.100000.50000

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 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008)
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

Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf

Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): 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 Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): 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

EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):10152-76-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :66282
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
3-methylsulfanylprop-1-ene
Chemidplus:0010152768