| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 10152-76-8 |
| ECHA EC Number: | 233-422-0 |
| FDA UNII: | V7QI1R316C |
| CoE Number: | 11429 |
| Category: | flavoring agents |
| IUPAC Name: | allyl methyl sulfide |
| InChI : | InChI=1/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3 |
| Std.InChI: | InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3 |
| InChIKey : | NVLPQIPTCCLBEU-UHFFFAOYAX |
| Std.InChIKey: | NVLPQIPTCCLBEU-UHFFFAOYSA-N |
| SMILES : | CSCC=C |
| MDL: | MFCD00008657 |
| Molar Refractivity : | 28.30 ± 0.3 cm3 (est) |
| Parachor : | 230.9 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.458 ± 0.02 (est) |
| Surface Tension : | 24.6 ± 3.0 dyne/cm (est) |
| Density : | 0.850 ± 0.06 g/cm3 (est) |
| Polarizability : | 11.22 ± 0.5 10-24cm3 (est) |
| 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 |
| DG SANTE Food Flavourings: | 12.096 allyl methyl sulfide |
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.87400 to 0.88000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.273 to 7.322 |
| Refractive Index: | 1.46800 to 1.47400 @ 20.00 °C. |
| Boiling Point: | 92.00 to 93.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 68.372002 mmHg @ 25.00 °C. (est) |
| Flash Point: | 64.00 °F. TCC ( 17.78 °C. ) |
| logP (o/w): | 1.530 (est) |
| Soluble in: | |
| alcohol | |
| water, 3910 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items:note | |
| allyl methyl disulfide | |
| allyl methyl trisulfide | |
| None found |
| 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 | |
| Category: | |||
| flavoring agents | |||
| IFRA Purity Specification: | < 0.1% free allyl alcohol | ||
| 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/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 0.20000 | 1.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.10000 | 0.50000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.20000 | 1.00000 | |
| Processed fruit (04.1): | 0.20000 | 1.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 0.20000 | 1.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.10000 | 0.50000 | |
| Bakery wares (07.0): | 0.20000 | 1.00000 | |
| Meat and meat products, including poultry and game (08.0): | 0.10000 | 0.20000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.10000 | 0.20000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.10000 | 0.50000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.20000 | 1.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.10000 | 0.30000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.20000 | 1.00000 | |
| Ready-to-eat savouries (15.0): | 0.40000 | 2.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.10000 | 0.50000 | |
| 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 |
| 3-methylsulfanylprop-1-ene | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 66282 |
| Pubchem (sid): | 135025568 |
| (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 |
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| 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 |
