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2-mercaptopropionic acid
General Material Information
| Preferred name | 2-mercaptopropionic acid |
| Trivial Name | (±)-2-Mercaptopropionic acid |
| Short Description | 2-thiolpropionic acid |
| Formula | C3 H6 O2 S |
| CAS Number | 79-42-5 |
| FEMA Number | 3180 |
| Flavis Number | 12.039 |
| ECHA Number | 201-206-5 |
| FDA UNII | O5U6967KGF |
| Nikkaji Number | J4.231E |
| Beilstein Number | 0506218 |
| MDL | MFCD00004862 |
| COE Number | 11790 |
| xLogP3-AA | 0.50 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 551 2-mercaptopropionic acid |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 79-42-5 ; 2-MERCAPTOPROPIONIC ACID |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| 2-sulfanylpropanoic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 79-42-5 |
| Pubchem (cid): | 62326 |
| Pubchem (sid): | 135019589 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31520 |
| FooDB: | FDB008120 |
| Export Tariff Code: | 2930.90.4950 |
| ChemSpider: | View |
| Wikipedia: | View |
| FAO: | 2-Mercaptopropionic acid |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 106.14421844482 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.944 to 10.018 |
| Refractive Index | 1.479 to 1.484 @ 20 °C |
| Melting Point | 10 to 14°C @ 760 mm Hg |
| Boiling Point | 98 to 99°C @ 14 mm Hg |
| Vapor Pressure | 0.103 mmHg @ 25 °C |
| Vapor Density | 3.6 |
| Flash Point TCC Value | 87.78 °C TCC |
| logP (o/w) | 0.492 est |
| Solubility | |
| acetone | Yes |
| alcohol | Yes |
| water | Yes |
| water, 1.152e+005 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Sulfurous | |
| meaty, sulfurous, roasted, savory, brown | |
| Odor strength | very high |
| Substantivity | 400 hour(s) at 100.00 % |
| General comment | At 0.01 % in propylene glycol. meaty sulfurous roasted |
| Mosciano, Gerard P&F 17, No. 5, 127, (1992) | Sulfury, meaty savory, brown with roasted brown nuances |
| Flavor Type: Meaty | |
| meaty, sulfurous, brothy, brown | |
| Mosciano, Gerard P&F 17, No. 5, 127, (1992) | At 15.00 ppm. Meaty, sulfurous, brothy, brown |
| Used in smoke, meat and bacon flavours. Normal use levels in finished consumer product: 0.5-50 ppm. | Meaty, sulphurous, brothy, brown |
Potential Uses
| Applications | |
| Flavoring purposes | Coffee , Egg , Meat , Savory , Soup |
| Other purposes | Antioxidants , Depilatories , Hair straightening agents , Hair waving agents , Reducing agents |
| Cosmetic purposes | Antioxidants , Depilatories , Fragrance , Hair straightening agents , Hair waving agents , Reducing agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| C - Corrosive. | |
| R 25 - Toxic if swallowed. R 34 - Causes burns. S 01/02 - Keep locked up and out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| 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: | |
| inhalation-rat TCLo 700 ppm Kodak Company Reports. Vol. 21MAY1971 | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 2.10 (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: 4 | |||
| Click here to view publication 4 | |||
| average usual ppm | average maximum ppm | ||
| 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: | - | 50.00000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 50.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 50.00000 | |
| 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 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008) 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 |
| 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 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 Substance Registry Services (TSCA):79-42-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :62326 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2936 |
| WGK Germany:1 |
| 2-sulfanylpropanoic acid |
| Chemidplus:0000079425 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:UF5250000 for cas# 79-42-5 |