| Preferred name | 3-methyl-2-butane thiol |
| Trivial Name | 3-methylbutane-2-thiol |
| Short Description | 3-methyl-2-butanethiol |
| Formula | C5 H12 S |
| CAS Number | 2084-18-6 |
| CAS Number | 2084-18-6 (R) |
| CAS Number | 2084-18-6 (S) |
| Deleted CAS Number | 110503-17-8 |
| FEMA Number | 3304 |
| Flavis Number | 12.049 |
| ECHA Number | 218-223-9 |
| FDA UNII | JE3PR84J0B |
| Nikkaji Number | J95.392J |
| MDL | MFCD00039648 |
| COE Number | 11510 |
| xLogP3-AA | 2.30 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 517 3-methyl-2-butanethiol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 2084-18-6 ; 3-METHYL-2-BUTANETHIOL |
| Synonyms |
|
| 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 |
| 3-methylbutane-2-thiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2084-18-6 |
| Pubchem (cid): | 519823 |
| Pubchem (sid): | 203819 |
| (2R)-3-methylbutane-2-thiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2084-18-6 |
| Pubchem (cid): | 7364125 |
| Pubchem (sid): | 44306854 |
| (2S)-3-methylbutane-2-thiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2084-18-6 |
| Pubchem (cid): | 7364127 |
| Pubchem (sid): | 44306856 |
| Publications by Google Patents | |
| Fragrance materials | |
| Publications by PubMed | |
| Identification of potent odorants in Japanese green tea (Sen-cha). | |
| (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): | HMDB36180 |
| FooDB: | FDB015034 |
| Export Tariff Code: | 2930.90.9999 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | 3-Methyl-2-butanethiol |
| Material listed in food chemical codex | No |
| Molecular weight | 104.21563720703 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.006 to 7.039 |
| Refractive Index | 1.443 to 1.447 @ 20 °C |
| Boiling Point | 117 to 118°C @ 760 mm Hg |
| Boiling Point | 103 to 104°C @ 760 mm Hg |
| Vapor Pressure | 36.735001 mmHg @ 25 °C |
| Flash Point TCC Value | 15.56 °C TCC |
| logP (o/w) | 2.658 est |
| Solubility | |
| alcohol | Yes |
| ether | Yes |
| water, 692.3 mg/L @ 25 °C (est) | Yes |
| water | No |
| Odor Type: Sulfurous | |
| beefy, meaty, sulfurous, savory, burnt, rubbery, roasted, chicken, pork, coffee roasted coffee, cheesy | |
| General comment | At 0.10 % in propylene glycol. repulsive beefy meaty |
| Mosciano, Gerard, (2009) | At 0.10 %. sulfurous, savory burnt rubber, roasted chicken and pork meaty with nuances of roasted coffee, cultured cheeses and roasted cashew nuts. |
| Flavor Type: Sulfurous | |
| sulfurous, savory, fried, meaty, fatty, coffee, cooked, onion | |
| Mosciano, Gerard, (2009) | At 0.50 ppm. sulfurous, savory fried meaty, fried fatty with coffee and cooked onion nuances with a slight tongue bite |
| Used in bakery cereal milk products and soups at 0.8ppm, and oils and fats at 0.05ppm. | Meaty |
| (data available) |
| Applications | |
| Flavoring purposes | Bakery , Beef , Cereal , Coffee , Fat , Savory , Soup |
| Other purposes | Milk products , Oils |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 11 - Highly flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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: | |
| gavage-rat LD50 [sex: M,F] 540 mg/kg (Harper & Ginn, 1964) | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavoring agents | |||
| Recommendation for 3-methyl-2-butane thiol usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (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: 5 | |||
| Click here to view publication 5 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 1.20000 | |
| beverages(nonalcoholic): | - | 1.20000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | 1.20000 | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | 1.20000 | |
| hard candy: | - | 1.20000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 1.20000 | |
| milk products: | - | 1.20000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 1.20000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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 Substance Registry Services (TSCA):2084-18-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :519823 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1993 |
| WGK Germany:3 |
| 3-methylbutane-2-thiol |
| Chemidplus:0002084186 |
| (2R)-3-methylbutane-2-thiol |
| (2S)-3-methylbutane-2-thiol |