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(R,S)-2-mercapto-3-butanol
General Material Information
| Preferred name | (R,S)-2-mercapto-3-butanol |
| Trivial Name | rel-(2R,3S)-3-Mercapto-2-butanol |
| Short Description | 2-mercapto-3-butanol |
| Formula | C4 H10 O S |
| CAS Number | 37887-04-0 |
| FEMA Number | 3502 |
| Flavis Number | 12.024 |
| ECHA Number | 253-701-0 |
| FDA UNII | 82S57584XS |
| Nikkaji Number | J264.795H |
| MDL | MFCD00010271 |
| COE Number | 760 |
| xLogP3-AA | 0.70 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 546 2-mercapto-3-butanol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| 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
| (2R,3S)-3-sulfanylbutan-2-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 37887-04-0 |
| Pubchem (cid): | 641834 |
| Pubchem (sid): | 135212493 |
| Publications by US Patents | |
| 6,610,346 - Mercapto-alkanol flavor compounds | |
| 3,959,509 - Flavoring foodstuffs using sulfur-containing compounds | |
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): | Search |
| Export Tariff Code: | 2930.90.9999 |
| ChemSpider: | View |
| FAO: | 2-Mercapto-3-butanol |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 106.18789672852 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.363 to 8.487 |
| Refractive Index | 1.475 to 1.49 @ 20 °C |
| Vapor Pressure | 0.75 mmHg @ 25 °C |
| Flash Point TCC Value | 56.67 °C TCC |
| logP (o/w) | 0.477 est |
| Solubility | |
| alcohol | Yes |
| fats | Yes |
| water, 3.195e+004 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Sulfurous | |
| sulfurous, roasted, onion, garlic, meaty, meaty roasted meaty, alliaceous | |
| General comment | At 0.10 % in propylene glycol. sulfury roasted onion garlic meaty |
| Mosciano, Gerard P&F 21, No. 3, 51, (1996) | SuIfureous, roasted meat, alliaceous, sauteed onion and garlic |
| Flavor Type: Meaty | |
| meaty, savory, onion, garlic | |
| Mosciano, Gerard P&F 21, No. 3, 51, (1996) | At 4.00 ppm. Meaty, savory, sauteed onion and garlic |
Potential Uses
| Applications | |
| Odor purposes | Coffee |
| Flavoring purposes | Candy , Chicken , Currant black currant , Fruit tropical fruit , Garlic , Meat , Onion , Savory |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. 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: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| Recommendation for (R,S)-2-mercapto-3-butanol usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 4.00 (μg/capita/day) | ||
| NOEL (No Observed Effect Level): | 1.9 (mg/kg bw per 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: 10 | |||
| Click here to view publication 10 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.20000 | |
| 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: | - | 0.20000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 0.20000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 0.20000 | |
| 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 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 |
| 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 ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :641834 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3336 |
| WGK Germany:3 |
| (2R,3S)-3-sulfanylbutan-2-ol |
| Chemidplus:0037887040 |