3-mercaptoisobutyric acid
propanoic acid, 3-mercapto-2-methyl-
Identification
| Name | 3-mercaptoisobutyric acid |
| IUPAC | 2-methyl-3-sulfanylpropanoic acid |
| CAS Number | 26473-47-2 |
| EINECS | 247-726-6 |
| FDA UNII | V3E4016VAS |
| Molecular Formula | C4 H8 O2 S |
| Molecular Weight | 120.17116000 |
| MDL Number | MFCD00671555 |
| Nikkaji Number | J248.947C |
Regulatory
| DG SANTE Food Flavourings | 12.135 3-mercapto-2-methylpropionic acid |
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 43.00 °C. @ 760.00 mm Hg |
| Boiling Point | 232.00 to 234.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.021000 mmHg @ 25.00 °C. (est) |
| Flash Point | 201.00 °F. TCC ( 93.89 °C. ) |
| logP (o/w) | 0.733 (est) |
| Soluble in | alcohol |
No sensory data available
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-mercaptoisobutyric acid usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.12 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 78 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| Dairy products, excluding products of category 02.0 (01.0) | 0.20000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 0.10000 |
| Edible ices, including sherbet and sorbet (03.0) | 0.20000 |
| Processed fruit (04.1) | 0.20000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 0.20000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.10000 |
| Bakery wares (07.0) | 0.20000 |
| 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) | 0.10000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 0.20000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.10000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 0.20000 |
| Ready-to-eat savouries (15.0) | 0.40000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 0.10000 |
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Potential Uses
Natural Occurrence
Synonyms
3-
mercapto-2-methyl propionic acid
3-
mercapto-2-methylpropionic acid
2-
methyl-3-sulfanylpropanoic acid
propanoic acid, 3-mercapto-2-methyl-
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