3-methyl thiopropionic acid
4-thiapentanoic acid
Identification
| Name | 3-methyl thiopropionic acid |
| IUPAC | 3-methylsulfanylpropanoic acid |
| CAS Number | 646-01-5 |
| EINECS | 211-460-9 |
| FDA UNII | F523ALI47D |
| Molecular Formula | C4 H8 O2 S |
| Molecular Weight | 120.17116000 |
| MDL Number | MFCD00059635 |
| Nikkaji Number | J22.485E |
Regulatory
| DG SANTE Food Flavourings | 12.183 3-(methylthio)propionic acid |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.15500 to 1.16100 @ 25.00 °C. |
| Pounds per Gallon - (est). | 9.611 to 9.661 |
| Refractive Index | 1.48500 to 1.49100 @ 20.00 °C. |
| Boiling Point | 244.00 to 247.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.007000 mmHg @ 25.00 °C. (est) |
| Flash Point | 220.00 °F. TCC ( 104.44 °C. ) |
| logP (o/w) | 0.458 (est) |
| Soluble in | alcohol |
Organoleptic Properties
| Odor Description | sweet sulfurous |
Safety Information
| Preferred SDS | View |
| 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 3-methyl thiopropionic acid usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.21 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 160 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| Dairy products, excluding products of category 02.0 (01.0) | 0.40000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 0.20000 |
| Edible ices, including sherbet and sorbet (03.0) | 0.40000 |
| Processed fruit (04.1) | 0.30000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 0.40000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.20000 |
| Bakery wares (07.0) | 0.40000 |
| Meat and meat products, including poultry and game (08.0) | 0.10000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 0.10000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 0.20000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 0.40000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.20000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 0.40000 |
| Ready-to-eat savouries (15.0) | 1.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 0.20000 |
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Potential Uses
Natural Occurrence
Synonyms
3-(
methyl sulfanyl) propanoic acid
3-(
methyl thio) propionic acid
3-
methylmercaptopropionic acid
3-(
methylsulfanyl)propanoic acid
3-(
methylsulfanyl)propionic acid
3-
methylsulfanylpropanoic acid
3-(
methylthio)propionic acid
3-
methylthiopropanoic acid
3-
methylthiopropionic acid
3-(
methythio)propionic acid
propanoic acid, 3-(methylthio)-
propionic acid, 3-(methylthio)-
4-
thiapentanoic acid
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