| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 766-92-7 |
| ECHA EC Number: | 212-174-7 |
| FDA UNII: | Y3900RBK51 |
| Category: | flavoring agents |
| IUPAC Name: | benzyl methyl sulfide |
| InChI : | InChI=1/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| Std.InChI: | InChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| InChIKey : | OFQPKKGMNWASPN-UHFFFAOYAM |
| Std.InChIKey: | OFQPKKGMNWASPN-UHFFFAOYSA-N |
| SMILES : | CSCC1=CC=CC=C1 |
| MDL: | MFCD00008563 |
| Molar Refractivity : | 43.79 ± 0.3 cm3 (est) |
| Parachor : | 334.5 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.556 ± 0.02 (est) |
| Surface Tension : | 36.3 ± 3.0 dyne/cm (est) |
| Density : | 1.014 ± 0.06 g/cm3 (est) |
| Polarizability : | 17.36 ± 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 |
| JECFA Food Flavoring: | 460 benzyl methyl sulfide |
| DG SANTE Food Flavourings: | 12.077 benzyl methyl sulfide |
| FEMA Number: | 3597 benzyl methyl sulfide |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 766-92-7 ; BENZYL METHYL SULFIDE |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.01500 to 1.02000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.446 to 8.487 |
| Refractive Index: | 1.56300 to 1.57300 @ 20.00 °C. |
| Melting Point: | -30.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 196.00 to 198.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 87.00 to 88.00 °C. @ 11.00 mm Hg |
| Vapor Pressure: | 0.507000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 4.7 ( Air = 1 ) |
| Flash Point: | 161.00 °F. TCC ( 71.67 °C. ) |
| logP (o/w): | 2.173 (est) |
| Soluble in: | |
| fats | |
| propylene glycol | |
| water, 486.3 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| BOC Sciences |
| For experimental / research use only. |
| Benzyl(methyl)sulfane |
| Endeavour Specialty Chemicals |
| Benzyl methyl sulphide 98% F&F |
| Speciality Chemical Product Groups |
| Penta International |
| BENZYL METHYL SULFIDE |
| R C Treatt & Co Ltd |
| Benzyl Methyl Sulphide Kosher |
| Robinson Brothers |
| Benzyl methyl sulphide F&F |
| https://www.robinsonbrothers.uk/chemistry-competences |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Benzyl Methyl Sulfide |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Benzyl Methyl Sulfide 98% |
| Synerzine |
| Benzyl Methyl Sulfide |
| Taytonn ASCC |
| Benzyl Methyl Sulphide Odor: Burnt, Meaty, Roast |
| TCI AMERICA |
| For experimental / research use only. |
| Benzyl Methyl Sulfide >98.0%(GC) |
| Tengzhou Jitian Aroma Chemiclal |
| Benzyl Methyl Sulfide |
| Tianjin Danjun International |
| Benzyl methyl sulfide |
| United International |
| Benzyl Methyl Sulfide |
| WholeChem |
| Benzyl methyl sulfide |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 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 | |
| Category: | |||
| flavoring agents | |||
| Recommendation for benzyl methyl sulfide usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.09 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.02 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | ND (μg/person/day) | ||
| Threshold of Concern: | 540 (μg/person/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: 12 | |||
| Click here to view publication 12 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.20000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 0.05000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | 0.05000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 0.10000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | 0.20000 | |
| soft candy: | - | - | |
| soups: | - | 0.05000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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 91, Revision 1 (FGE.91Rev1): 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.08Rev3 (2011) 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 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the 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.08Rev5 (2012) View page or View pdf |
| Safety and efficacy of eight compounds belonging to different chemical groups when used as flavourings for cats and dogs View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 91, Revision 3 (FGE.91Rev3): consideration of aliphatic, aromatic and a,�-unsaturated sulfides and thiols evaluated by JECFA (53rd, 61st, 68th and 76th meetings), structurally related to substances in FGE.08Rev5 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):766-92-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :13016 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3334 |
| WGK Germany:3 |
| methylsulfanylmethylbenzene |
| Chemidplus:0000766927 |
| methylsulfanylmethylbenzene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 766-92-7 |
| Pubchem (cid): | 13016 |
| Pubchem (sid): | 134977939 |
| (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): | HMDB31314 |
| FooDB: | FDB003371 |
| Export Tariff Code: | 2930.90.9999 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | Benzyl methyl sulfide |
| benzene, ((methylthio)methyl)- | |
| benzene, (methylthio)methyl - | |
| benzene, [ (methylthio)methyl]- | |
| benzene, [(methylthio)methyl]- | |
| benzyl methyl sulphide | |
| benzyl(methyl)sulfane | |
| methyl benzyl sulfide | |
| ( | methyl thio) methyl benzene |
| alpha-( | methyl thio) toluene |
| (( | methyl thio)methyl) benzene |
| methyl thiomethyl benzene | |
| ( | methyl thiomethyl) benzene |
| alpha- | methyl thiotoluene |
| [( | methylsulfanyl)methyl]benzene |
| methylsulfanylmethylbenzene | |
| (( | methylthio)methyl)benzene |
| a-( | methylthio)toluene |
| methylthiomethylbenzene | |
| 1- | phenyl-2-thiapropane |
| PTF | |
| sulfide, benzyl methyl |
