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2-methyl-1-methylthio-2-butene
Notes:
Used as a food additive [EAFUS]
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 89534-74-7 |  3D/inchi
|
| FDA UNII: | B81KIE20DF | |
| Nikkaji Web: | J1.779.522H | |
| XlogP3-AA: | 2.40 (est) | |
| Molecular Weight: | 116.22664000 | |
| Formula: | C6 H12 S | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| EFSA/JECFA Comments: | (Flavour Industry, 2007j). Industry has informed: 99.3 % (E)-isomer, 0.2% (Z)-isomer, 0.2 % 1-methylthio-2-propanone, 0.1% methyl 2-methyl-2-butenoate, 0.2 % unknown. Register name to be changed to (E)-2-Methyl-1-methylthio-2-butene. | |
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: | 1683 2-methyl-1-methylthio-2-butene |
| DG SANTE Food Flavourings: | 12.265 2-methyl-1-methylthio-2-butene |
| FEMA Number: | 4173 2-methyl-1-methylthio-2-butene |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 89534-74-7 ; 2-METHYL-1-METHYLTHIO-2-BUTENE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 99.30 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.85900 to 0.86400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.148 to 7.189 |
| Refractive Index: | 1.46800 to 1.47400 @ 20.00 °C. |
| Boiling Point: | 78.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 6.679000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 89.00 °F. TCC ( 31.67 °C. ) |
| logP (o/w): | 2.753 (est) |
| Soluble in: | |
| alcohol | |
| water, very slightly | |
| water, 487.9 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: meaty | |
| cooked roasted meaty | |
| Odor Description: at 0.10 % in propylene glycol. | cooked roasted meaty |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| 2-METHYL-1-METHYLTHIO-2-BUTENE |
| Parchem |
| 2-methyl-1-methyl thio-2-butene |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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 2-methyl-1-methyl thio-2-butene usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | ND (μg/person/day) | ||
| NOEL (No Observed Effect Level): | 250 (mg/kg bw per day) | ||
| Threshold of Concern: | 1800 (μg/person/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: 22 | |||
| Click here to view publication 22 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | 0.10000 | 0.25000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | 0.10000 | 0.25000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 0.10000 | 0.25000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 0.10000 | 0.25000 | |
| snack foods: | 0.10000 | 0.25000 | |
| soft candy: | - | - | |
| soups: | 0.10000 | 0.25000 | |
| 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 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 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 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 | |
| Scientific Opinion on Flavouring Group Evaluation 91, Revision 3 (FGE.91Rev3): consideration of aliphatic, aromatic and a,ß-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 ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5362832 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (E)-2-methyl-1-methylsulfanylbut-2-ene | |
| Chemidplus: | 0089534747 |
References:
| (E)-2-methyl-1-methylsulfanylbut-2-ene | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5362832 |
| Pubchem (sid): | 135284064 |
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): | HMDB32411 |
| FooDB: | FDB009849 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| meat | FL |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| 2- | butene, 2-methyl-1-(methylthio)- |
| methyl 2-methyl-2-butenyl sulfide | |
| methyl 2-methylbut-2-en-1-yl sulfide | |
| methyl 2-methylbut-2-en-1-yl sulphide | |
| 2- | methyl-1-(methylthio)-2-butene |
| 2- | methyl-1-(methylthio)but-2-ene |
| 2- | methyl-1-methyl sulfanyl but-2-ene |
| (E)-2- | methyl-1-methylsulfanylbut-2-ene |
| 2- | methyl-1-methylthio-2-butene |