3-mercapto-2-methyl-1-butanol
erythro- and threo-3-mercapto-2-methylbutan-1-ol
Identification
| Name | 3-mercapto-2-methyl-1-butanol |
| IUPAC | 2-methyl-3-sulfanylbutan-1-ol |
| CAS Number | 227456-33-9 |
| FDA UNII | 37ZRE7AMO5 |
| Molecular Formula | C5 H12 O S |
| Molecular Weight | 120.21484000 |
| Nikkaji Number | J2.438.079C |
Regulatory
| JECFA Food Flavoring | 1289 erythro- and threo-3-mercapto-2-methylbutan-1-ol |
| DG SANTE Food Flavourings | 12.291 3-mercapto-2-methyl-1-butanol |
| FEMA Number | 3993 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 227456-33-9 ; 3-MERCAPTO-2-METHYL-1-BUTANOL |
Physical Properties
| Appearance | colorless to yellow clear liquid (est) |
| Assay | 98.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.00200 to 1.00800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.338 to 8.388 |
| Refractive Index | 1.48200 to 1.49000 @ 20.00 °C. |
| Boiling Point | 96.00 to 98.00 °C. @ 20.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.150000 mmHg @ 25.00 °C. (est) |
| Flash Point | 127.00 °F. TCC ( 52.78 °C. ) |
| logP (o/w) | 1.117 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in propylene glycol. |
| Taste Description | strong onion-like, brothy |
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 3-mercapto-2-methyl-1-butanol usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.061 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 2.00 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 17 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | 0.10000 |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | 0.10000 |
| confectionery froastings | - |
| egg products | - |
| fats / oils | 0.10000 |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 0.10000 |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | 0.01000 |
| seasonings / flavors | - |
| snack foods | 0.10000 |
| soft candy | - |
| soups | 0.10000 |
| sugar substitutes | - |
| sweet sauces | - |
| Dairy products, excluding products of category 02.0 (01.0) | - |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 0.10000 |
| Edible ices, including sherbet and sorbet (03.0) | - |
| Processed fruit (04.1) | 0.01000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | - |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | - |
| Bakery wares (07.0) | 0.10000 |
| Meat and meat products, including poultry and game (08.0) | 0.10000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | - |
| 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) | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | - |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | - |
| 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) | 0.10000 |
Chemical sources Association Inc
Exchange of knowledge
Need This Item for Flavor? You can contact the Chemical Sources Association.
M&U International LLC
Steady supply & demand
Meeting customers increasing demands at home as well as abroad.
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
Potential Uses
Natural Occurrence
Synonyms
butan-1-ol, 3-mercapto-2-methyl-
1-
butanol, 3-mercapto-2-methyl-
erythro- and threo-3-
mercapto-2-methyl butan-1-ol
erythro- and threo-3-
mercapto-2-methylbutan-1-ol
3-
mercapto-2-methylbutanol
2-
methyl-3-sulfanylbutan-1-ol
US Patents:
6,805,893 - Mercapto-alkanol flavor compounds