allyl mercaptan
allylthiol

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  Sunaux International

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  Allyl mercaptan

Name: prop-2-ene-1-thiol CAS Number: 870-23-5 3D/inchi ECHA EINECS - REACH Pre-Reg: 212-792-7 FDA UNII: 1X587IBY09 Nikkaji Web: J1.740J Beilstein Number: 1697523 MDL: MFCD00004894 CoE Number: 476 XlogP3-AA: 1.20 (est) Molecular Weight: 74.14582000 Formula: C3 H6 S NMR Predictor: Predict (works with chrome, Edge or firefox) Also(can) Contains: allyl disulfide 20.00% to 25.00%   allyl sulfide 5.00% to 7.00% EFSA/JECFA Comments: At least 75%; secondary components 20-25% allyl disulfide and 5-7% allylsulfide. (JECFA) Category:flavoring agents   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 Perfumer and Flavorist: Search Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search JECFA Food Flavoring: 521 allyl mercaptan DG SANTE Food Flavourings: 12.004 allylthiol FEMA Number: 2035 allyl mercaptan FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 870-23-5 ; ALLYL MERCAPTAN FDA Regulation: FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.   Physical Properties: Appearance: colorless to dark yellow clear liquid (est) Assay: 70.00 to 98.00 Food Chemicals Codex Listed: No Specific Gravity: 0.88800 to 0.89900 @ 25.00 °C. Pounds per Gallon - (est).: 7.389 to 7.481 Refractive Index: 1.47000 to 1.48000 @ 20.00 °C. Boiling Point: 65.00 to 67.00 °C. @ 760.00 mm Hg Vapor Pressure: 524.000000 mmHg @ 25.00 °C. Vapor Density: 2.5 ( Air = 1 ) Flash Point: 69.80 °F. TCC ( 21.00 °C. ) logP (o/w): 1.507 (est) Soluble in:   alcohol   ethyl ether   oils   water, 5510 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note amyl mercaptan isoamyl mercaptan sec-amyl mercaptan tert-amyl mercaptan benzyl mercaptan buchu mercaptan butyl mercaptan isobutyl mercaptan tert-butyl mercaptan cetyl mercaptan cyclohexyl mercaptan cyclopentyl mercaptan decyl mercaptan dodecyl mercaptan 2-ethyl hexyl mercaptan ethyl mercaptan ethylene mercaptan furfuryl mercaptan grapefruit mercaptan heptyl mercaptan hexyl mercaptan methyl mercaptan 2-naphthyl mercaptan nonyl mercaptan octyl mercaptan peach mercaptan 1-phenethyl mercaptan 2-phenethyl mercaptan phenyl mercaptan prenyl mercaptan propyl mercaptan isopropyl mercaptan 2-thienyl mercaptan 3-thienyl mercaptan tridecyl mercaptan undecyl mercaptan   Organoleptic Properties: Odor Type: sulfurous alliaceous sulfurous garlic onion roasted Odor Description:at 0.10 % in propylene glycol. alliaceous sulfurous garlic onion roasted sulfurous alliaceous onion cooked onion garlic roasted grilled charred meaty Odor Description:at 0.10 % in propylene glycol. Sulfurous and alliaceous, sauteed onion and garlic, roasted, grilled and charred meaty nuances Mosciano, Gerard P&F 26, No. 5, 68, (2001) Flavor Type: alliaceous alliaceous onion garlic leek meaty bouillon savory Taste Description: at 0.20 - 1.00 ppm. Alliaceous onion, garlic and leek. It has meaty bouillon savory nuances Mosciano, Gerard P&F 26, No. 5, 68, (2001) Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Charkit Chemical ALLYL MERCAPTAN FEMA 2035 DeLong Chemicals America Allyl mercaptan, Kosher M&U International ALLYL MERCAPTAN, Kosher Penta International ALLYL MERCAPTAN NATURAL 1% IN ETHYL ALCOHOL Penta International ALLYL MERCAPTAN NATURAL 1% IN NEOBEE Penta International ALLYL MERCAPTAN NATURAL 1% IN PROPYLENE GLYCOL Penta International ALLYL MERCAPTAN NATURAL 1% IN TRIETHYL CITRATE Penta International ALLYL MERCAPTAN Pfaltz & Bauer For experimental / research use only. Allyl mercaptan 70% sds R C Treatt & Co Ltd Allyl mercaptan 80% material. NI, Kosher Reincke & Fichtner Allyl Mercaptan Santa Cruz Biotechnology For experimental / research use only. 2-Propene-1-thiol Sigma-Aldrich For experimental / research use only. Allyl mercaptan technical, ∼60% (GC) Odor: alliaceous (onion, garlic) Sunaux International Allyl Mercaptan Synerzine allyl mercaptan TCI AMERICA For experimental / research use only. Allyl Mercaptan >80.0%(GC) sds Tengzhou Jitian Aroma Chemiclal Allyl Mercaptan Tengzhou Xiang Yuan Aroma Chemicals Allyl Mercaptan United International Allyl Mercaptan WholeChem Allyl mercaptan   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 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 33 - Take precautionary measures against static discharge. S 36 - Wear suitable protective clothing.   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: < 0.1% free allyl alcohol Recommendation for allyl mercaptan usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.16 (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: 3 Click here to view publication 3   average usual ppm average maximum ppm baked goods: 0.50000 2.00000 beverages(nonalcoholic): - 0.25000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: 2.00000 3.00000 confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: 0.50000 2.00000 fruit ices: 0.50000 2.00000 gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: - 0.50000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - 0.50000 milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - - soups: - - 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 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 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 Review of substances/agents that have direct beneficial effect on the environment: mode of action and assessment of efficacy View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):870-23-5 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :13367 National Institute of Allergy and Infectious Diseases:Data WISER:UN 1228 WGK Germany:3 prop-2-ene-1-thiol Chemidplus:0000870235   References:   prop-2-ene-1-thiol NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 870-23-5 Pubchem (cid): 13367 Pubchem (sid): 134980744   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 CHEMBL: View HMDB (The Human Metabolome Database): HMDB31635 FooDB: FDB008283 Export Tariff Code: 2930.90.9190 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View FAO: Allyl mercaptan   Potential Blenders and core components note For Odor No odor group found for these green onion oleoresin FL/FR alliaceous alliaceous allium sativum oil egypt FL/FR dibutyl sulfide FL/FR dimethyl trisulfide FL/FR dipropyl disulfide FL/FR ferula assa-foetida gum oil FL/FR garlic oil FL/FR garlic oil china FL/FR garlic oil mexico FL/FR methyl furfuryl disulfide FL/FR propyl mercaptan FL/FR burnt rum ether FL/FR cheesy S-( methyl thio) butyrate FL/FR citrus grapefruit mercaptan FL/FR coffee coffee difuran FL/FR 2- methyl-3-,5 or 6-(furfuryl thio) pyrazine FL/FR coumarinic tonka bean oleoresin FR creamy 2,3- butane diol FR ethereal 2- methyl-1-butanol FL/FR fermented ethyl (E)-2-crotonate FL/FR garlic ferula assa-foetida gum FL/FR meaty meaty dithiane FL/FR 4- methyl nonanoic acid FL/FR sulfuryl acetate FL/FR musty hazelnut pyrazine FL/FR nutty 4,5- dimethyl-2-ethyl-3-thiazoline FL/FR 2- methyl pyrazine FL/FR 2- methyl-3-(methyl thio) pyrazine FL/FR spicy ethyl vinyl ketone FL/FR sulfurous 2- acetyl thiophene FL/FR benzothiazole FL/FR buchu mercaptan FL/FR dimethyl disulfide FL/FR dimethyl sulfide FL/FR ethyl 2-mercaptopropionate FL/FR ethyl 3-mercaptopropionate FL/FR ethyl methyl mercaptopropionate FL/FR ferula assa-foetida absolute FL/FR ferula assa-foetida gum extract FL/FR fish thiol FL/FR furfuryl thioacetate FL/FR 2- mercaptopropionic acid FL/FR methyl 3-(methyl thio) propionate FL/FR 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR 2- methyl 5-(methyl thio) furan FL/FR methyl mercaptan FL/FR 3-( methyl thio) hexanol FL/FR 2-( methyl thio) phenol FL/FR onion oil FL/FR onion oil CO2 extract FL/FR onion oil dutch FL/FR onion oil egypt FL/FR onion oil mexico FL/FR 1- phenethyl mercaptan FL/FR 4- tropical oxathiane FL/FR tobacco methyl benzoxole FL/FR vegetable 1- furfuryl pyrrole FL/FR methional FL/FR yeasty 2- octen-4-one FL/FR For Flavor No flavor group found for these 4- acetyl-2-methyl pyrimidine FL allyl methyl disulfide FL allyl methyl trisulfide FL allyl propyl disulfide FL allyl propyl sulfide FL allyl propyl trisulfide FL gamma- aminobutyric acid FL amyl mercaptan FL iso amyl mercaptan FL 1,2- butane dithiol FL 2-(2- butyl)-4,5-dimethyl-3-thiazoline FL cyclopropyl (E,Z)-2,6-nonadienamide FL diallyl hexasulfide FL 2,5- diethyl thiazole FL diethyl trisulfide FL diisopropyl sulfide FL diisopropyl trisulfide FL dimethyl tetrasulfide FL 2,6- dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone FL bis(2,5- dimethyl-3-furyl) disulfide FL (Z+E)-2,5- dimethyl-3-tetrahydrofuran thiol FL (Z+E)-2,5- dimethyl-3-thioacetoxytetrahydrofuran FL 2,5- dimethyl-3-thiofuroyl furan FL dipropyl sulfide FL ethyl (E,Z)-2,6-nonadienamide FL S- ethyl 2-acetyl aminoethane thioate FL ethyl 3-mercaptopropionate FL/FR ethyl 4-(acetyl thio) butyrate FL ethyl isothiocyanate FL ethyl methyl trisulfide FL ethyl propyl disulfide FL ethyl propyl trisulfide FL (Z+E)-5- ethyl-4-methyl-2-(2-butyl) thiazoline FL (Z+E)-5- ethyl-4-methyl-2-(2-methyl propyl) thiazoline FL furfuryl propyl disulfide FL heptyl mercaptan FL 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR methyl butyl sulfide FL methyl dihydrofuran thiol FL 2- methyl thiazolidine FL 4-( methyl thio) butanol FL 2-( methyl thio) ethanol FL 2-( methyl thio) methyl-2-butenal FL S- methyl thiopropionate FL 2- methyl-3-,5 or 6-(furfuryl thio) pyrazine FL/FR 2- methyl-3-(methyl thio) pyrazine FL/FR 2- methyl-3-furyl tetrasulfide FL 3-((2- methyl-3-furyl)thio)-4-heptanone FL 4-((2- methyl-3-furyl)thio)-5-nonanone FL 1,9- nonane dithiol FL peanut dithiazine FL 1- phenethyl mercaptan FL/FR 1,3- propane dithiol FL propenyl propyl disulfide FL iso propyl disulfide FL 3- thienyl mercaptan FL thiophene FL 2,3,5- trithiahexane FL (±)-3,5- diethyl-1,2,4-trithiolane FL N-(2-(3,4- dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide FL 3,7- dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide FL 4- mercapto-2-pentanone 1% in acetoin FL 2- methyl-1-methyl thio-2-butene FL pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine FL 1-(2- thienyl) butanone FL alliaceous alliaceous allium porrum extract FL allium sativum oil egypt FL/FR allyl disulfide FL allyl thiopropionate FL benzyl mercaptan FL 1,3- butane dithiol FL chive extract FL cyclopentyl mercaptan FL dicyclohexyl disulfide FL diethyl disulfide FL dimethyl trisulfide FL/FR dipropyl disulfide FL/FR dipropyl trisulfide FL ferula assa-foetida gum oil FL/FR garlic oil FL/FR garlic oil china FL/FR garlic oil extenders FL garlic oil mexico FL/FR smoked garlic oleoresin FL fried garlic oleoresin FL leek oil FL 3- mercapto-2-methyl pentanol FL 3- mercapto-2-pentanone FL methyl 3-mercaptobutanoate FL 2- methyl thioacetaldehyde FL onion oil extenders FL propyl mercaptan FL/FR shallot oil FL 3- tetrahydrothiophenone FL truffle sulfide FL burnt bacon dithiazine FL 1,6- hexane dithiol FL rum ether FL/FR cabbage methyl 2-thiofuroate FL chemical 2,5- dimethyl furan FL citrus grapefruit mercaptan FL/FR cocoa butyraldehyde FL coffee coffee difuran FL/FR methyl furfuryl disulfide FL/FR methyl furfuryl thiol FL corn chip 2- acetyl-2-thiazoline FL earthy difurfuryl sulfide FL 1,8- octane dithiol FL eggy iso propyl mercaptan FL ethereal 2- methyl-1-butanol FL/FR fatty (E,E)-2,4- decadienal FL dimethyl sulfoxide FL 4- methyl nonanoic acid FL/FR fruity 4- tropical oxathiane FL/FR garlic allium sativum bulb tincture FL allyl methyl sulfide FL ferula assa-foetida gum FL/FR garlic distillates FL sauteed garlic flavor FL black garlic flavor FL garlic flavor FL garlic oil CO2 extract FL garlic oleoresin FL 2- pentenyl-4-propyl-1,3-oxathiane (mixture of isomers) FL green dibutyl sulfide FL/FR 4- penten-1-yl acetate FL herbal massoia bark oil FL meaty 4- allyl-2,6-dimethoxyphenol FL benzothiazole FL/FR 2,6- dimethyl thiophenol FL 2,5- dimethyl-3-furan thiol FL 1,1- ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4% FL 4- furfuryl thio-2-pentanone FL meaty dithiane FL/FR 3- mercapto-2-butanone FL (R,S)-2- mercapto-3-butanol FL 2- mercaptomethyl pyrazine FL 2- mercaptopropionic acid FL/FR 2- methyl 3-(methyl thio) furan FL 2-( methyl thio) phenol FL/FR 12- methyl tridecanal FL bis(2- methyl-3-furyl) disulfide FL S-(2- methyl-3-furyl) ethane thioate FL 2- methyl-3-tetrahydrofuran thiol FL phenyl mercaptan FL propyl 2-mercaptopropionate FL propyl 2-methyl-3-furyl disulfide FL pyrazinyl ethane thiol FL 2- pyridinyl methane thiol FL sulfuryl acetate FL/FR thialdine FL ortho- thiocresol FL ortho- thioguaiacol FL metallic 2,5- dihydroxy-1,4-dithiane FL 3-( methyl thio) hexanol FL/FR mushroom methional diethyl acetal FL musty 2- ethoxythiazole FL ethyl (E)-2-crotonate FL/FR hazelnut pyrazine FL/FR 2- methyl 5-(methyl thio) furan FL/FR S-( methyl thio) butyrate FL/FR nutty 3,5- diethyl-2-methyl pyrazine FL 2,5- diethyl-3-methyl pyrazine FL 4,5- dimethyl-2-ethyl-3-thiazoline FL/FR methyl benzoxole FL/FR 2- methyl pyrazine FL/FR nutty thiazole FL onion 2- acetyl thiophene FL/FR ethyl 2-mercaptopropionate FL/FR furfuryl isopropyl sulfide FL leek flavor FL methionol FL methyl propyl disulfide FL methyl propyl trisulfide FL 2- methyl-1,3-dithiolane FL yellow onion flavor FL white onion flavor FL maui onion flavor FL green onion flavor FL red onion flavor FL vidalia onion flavor FL onion flavor FL onion juice concentrate FL propyl thioacetate FL scallion flavor FL shallot oleoresin FL popcorn 2- propionyl-2-thiazoline FL roasted ethyl 3-(furfuryl thio) propionate FL furfuryl thioacetate FL/FR hexyl mercaptan FL savory N-(2,4- dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide FL N-( heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide FL N1-(2- methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide FL N1-(2- methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide FL seafood 1,4- dithiane FL spicy ethyl vinyl ketone FL/FR sulfurous allium sativum bulb extract FL allyl sulfide FL buchu mercaptan FL/FR 2,3- butane dithiol FL butyl mercaptan FL diallyl polysulfides FL diallyl tetrasulfide FL diallyl trisulfide FL dimethyl disulfide FL/FR dimethyl sulfide FL/FR ethyl methyl mercaptopropionate FL/FR ethyl methyl sulfide FL S- ethyl thioacetate FL ferula assa-foetida absolute FL/FR ferula assa-foetida fluid extract FL ferula assa-foetida gum extract FL/FR ferula assa-foetida oleoresin FL fish thiol FL/FR furfuryl methyl sulfide FL furfuryl thiopropionate FL leek oleoresin FL 3- mercapto-2-methyl pentanal FL 3- mercapto-2-methyl-1-butanol FL methyl 2-(methyl thio) butyrate FL methyl 2-methyl-3-furyl disulfide FL methyl 4-(methyl thio) butyrate FL methyl benzyl disulfide FL methyl mercaptan FL/FR 1-( methyl thio)-2-butanone FL methyl thiomethyl butyrate FL 2- methyl thiophene FL 3- methyl-2-butane thiol FL 2- naphthyl mercaptan FL onion oil FL/FR onion oil CO2 extract FL/FR onion oil dutch FL/FR onion oil egypt FL/FR onion oil mexico FL/FR sauteed sweet onion oleoresin FL onion oleoresin FL caramelized onion oleoresin FL green onion oleoresin FL/FR roasted butanol FL 2,4,6- trithiaheptane 10% in triacetin FL tomato methional FL/FR vegetable 1- furfuryl pyrrole FL/FR methyl 3-(methyl thio) propionate FL/FR 2- octen-4-one FL/FR tyramine FL   Potential Uses: FL coffee FR fruit FL garlic FL horseradish FL liver FL meat FL onion FL soup   Occurrence (nature, food, other):note   allium species Search Trop Picture   chive plant Search Trop Picture   garlic bulb Search Trop Picture   garlic plant Search Trop Picture   onion Search Trop Picture   Synonyms:   allyl mercaptan 1% in triethyl citrate natural   allyl mercaptan tech.   allyl sulfhydrate   allyl thiol   allylmercaptan   allylsulfide   allylthiol   prop-2-ene-1-thiol 2- propene-1-thiol   Articles: PubMed:Effect of milk on the deodorization of malodorous breath after garlic ingestion.

Notes: Component of onion flavour (Allium cepa) and other Allium spp. Flavouring ingredient. Potential nutriceutical