2-(methyl thio) methyl-2-butenal
2-(methylthio)methyl-2-butenal
Identification
| Name | 2-(methyl thio) methyl-2-butenal |
| IUPAC | (Z)-2-(methylsulfanylmethyl)but-2-enal |
| EINECS | 255-126-0 |
| FDA UNII | L3MY5L63PW |
| Molecular Formula | C6 H10 O S |
| Molecular Weight | 130.20990000 |
| Nikkaji Number | J294.777C |
| CoE Number | 11549 |
Regulatory
| JECFA Food Flavoring | 470 2-(methylthio)methyl-2-butenal |
| DG SANTE Food Flavourings | 12.079 2-(methylthio)methyl-2-butenal |
| FEMA Number | 3601 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 40878-72-6 ; 2-((METHYLTHIO)METHYL)-2-BUTENAL |
Physical Properties
| Appearance | pale yellow clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.98200 to 0.98700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.171 to 8.213 |
| Refractive Index | 1.52280 to 1.53280 @ 20.00 °C. |
| Boiling Point | 77.00 °C. @ 5.00 mm Hg |
| Vapor Pressure | 0.090000 mmHg @ 25.00 °C. (est) |
| Flash Point | 213.00 °F. TCC ( 100.56 °C. ) |
| logP (o/w) | 1.368 (est) |
| Soluble in | fats |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in propylene glycol. |
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| Recommendation for 2-(methyl thio) methyl-2-butenal usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.024 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.10 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 280 (μg/person/day) |
| Threshold of Concern | 90 (μg/person/day) |
| Structure Class | III |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
| Dairy products, excluding products of category 02.0 (01.0) | 0.35000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 0.04000 |
| Edible ices, including sherbet and sorbet (03.0) | 0.50000 |
| Processed fruit (04.1) | 0.20000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | 0.20000 |
| Confectionery (05.0) | 0.50000 |
| Chewing gum (05.3) | 1.00000 |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.61000 |
| Bakery wares (07.0) | 0.73000 |
| Meat and meat products, including poultry and game (08.0) | 0.55000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 0.06000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 0.15000 |
| Foodstuffs intended for particular nutritional uses (13.0) | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.50000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 0.15000 |
| Ready-to-eat savouries (15.0) | 0.10000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 0.35000 |
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Potential Uses
Natural Occurrence
Synonyms
2-
butenal, 2-[(methylthio)methyl]-
2-
ethylidene methional
2-
ethylidenemethional
2-(
methyl mercapto) methyl-2-butenal
2-((
methyl thio)methyl)-2-butenal
2-
methyl thiomethyl-2-butenal
2-(
methyl thiomethyl)-2-butenal
2-(
methylmercapto)methyl-2-butenal
2-[(
methylsulfanyl)methyl]but-2-enal
(E)-2-(
methylsulfanylmethyl)but-2-enal
(Z)-2-(
methylsulfanylmethyl)but-2-enal
2-(
methylthio) methyl-2-butenal
2-(
methylthio)methyl-2-butenal
2-((
methylthio)methyl)-2-butenal
2-[(
methylthio)methyl]-2-butenal
2-(
methylthiomethyl)-2-butenal
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