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1-butenyl methyl sulfide
Notes:
Food flavouring ingredient. Present in roasted peanuts
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| CAS Number: | 32951-19-2 |  3D/inchi
|
| FDA UNII: | PI166QHN3H | |
| XlogP3-AA: | 2.00 (est) | |
| Molecular Weight: | 102.19970000 | |
| Formula: | C5 H10 S | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
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: | 457 (1-buten-1-yl) methyl sulfide |
| DG SANTE Food Flavourings: | 12.211 but-1-enyl methyl sulphide |
| FEMA Number: | 3820 1-butenyl methyl sulfide |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 32951-19-2 ; 1-BUTEN-1-YL METHYL SULFIDE |
Physical Properties:
| Appearance: | pale yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.94300 to 0.94800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.847 to 7.888 |
| Refractive Index: | 1.39300 to 1.41300 @ 20.00 °C. |
| Boiling Point: | 123.00 to 125.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 13.088000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 75.00 °F. TCC ( 23.90 °C. ) (est) |
| logP (o/w): | 2.916 (est) |
| Soluble in: | |
| alcohol | |
| water, 874.8 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Description: | sulfurous |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| 1-Butene,1-(methylthio)- |
| BOC Sciences |
| For experimental / research use only. |
| 1-(Butenyl-1)methylsulphide |
| Parchem |
| 1-buten-1-yl methyl sulfide |
Safety Information:
| 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 | ||
| Recommendation for 1-(methyl thio)-1-butene usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (μg/capita/day) | ||
| Structure Class: | I | ||
| 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: 18 | |||
| Click here to view publication 18 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.06000 | 1.00000 | |
| beverages(nonalcoholic): | 0.20000 | 2.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | 0.01000 | 0.04000 | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | 0.10000 | 1.00000 | |
| granulated sugar: | - | - | |
| gravies: | 0.10000 | 1.00000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 0.40000 | 4.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 5.00000 | 5.00000 | |
| 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 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 | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5368103 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 1-methylsulfanylbut-1-ene | |
| Chemidplus: | 0032951192 |
References:
| 1-methylsulfanylbut-1-ene | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5368103 |
| Pubchem (sid): | 135279192 |
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 |
| HMDB (The Human Metabolome Database): | HMDB38892 |
| FooDB: | FDB018354 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | (1-Buten-1-yl) methyl sulfide |
Potential Blenders and core components note
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| peanut roasted peanut Search Trop Picture |
Synonyms:
| but-1-en-1-yl methyl sulfide | |
| but-1-enyl methyl sulphide | |
| 1- | buten-1-yl methyl sulfide |
| (1- | buten-1-yl) methyl sulfide |
| 1- | butene, 1-(methylthio)- |
| 1- | butenyl methyl sulfide |
| (1- | butenyl-1)methylsulphide |
| 1-( | methylsulfanyl)but-1-ene |
| 1- | methylsulfanylbut-1-ene |
| 1-( | methylthio)-1-butene |