| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 541-31-1 |
| ECHA EC Number: | 208-774-3 |
| FDA UNII: | MMK4SUN45E |
| Category: | flavoring agents |
| IUPAC Name: | isoamyl mercaptan |
| InChI : | InChI=1/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 |
| Std.InChI: | InChI=1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 |
| InChIKey : | GIJGXNFNUUFEGH-UHFFFAOYAA |
| Std.InChIKey: | GIJGXNFNUUFEGH-UHFFFAOYSA-N |
| SMILES : | CC(C)CCS |
| MDL: | MFCD00004899 |
| Molar Refractivity : | 33.06 ± 0.3 cm3 (est) |
| Parachor : | 280.3 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.439 ± 0.02 (est) |
| Surface Tension : | 24.8 ± 3.0 dyne/cm (est) |
| Density : | 0.830 ± 0.06 g/cm3 (est) |
| Polarizability : | 13.10 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 513 3-methylbutanethiol |
| DG SANTE Food Flavourings: | 12.171 3-methylbutane-1-thiol |
| FEMA Number: | 3858 3-methylbutanethiol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 541-31-1 ; 3-METHYLBUTANETHIOL |
| None found |
| Beijing Lys Chemicals |
| 3-Methyl-1-butanethiol |
| Carbosynth |
| For experimental / research use only. |
| 3-Methyl-1-butanethiol |
| DeLong Chemicals America |
| 3-Methylbutanethiol, Kosher |
| M&U International |
| 3-METHYL-1-BUTANETHIOL, Kosher |
| Penta International |
| 3-METHYL-1-BUTANETHIOL |
| R C Treatt & Co Ltd |
| 3-Methylbutanethiol |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 3-Methyl-1-butanethiol |
| Shijiazhuang Donglian Nankai Aroma Chemicals |
| 3-Methyl-1-butanethiol Odor: Mercaptan odor, with the smell of green onion and garlic after dilution |
| Sigma-Aldrich |
| 3-Methyl-1-butanethiol, ≥97% |
| Certified Food Grade Products |
| Synerzine |
| 3-Methyl-1-butanethiol |
| TCI AMERICA |
| For experimental / research use only. |
| isoAmyl Mercaptan >94.0%(T) |
| WholeChem |
| 3-Methyl-1-butanethiol |
| 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 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 | |
| Category: | |||
| flavoring agents | |||
| Recommendation for isoamyl mercaptan usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (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: 18 | |||
| Click here to view publication 18 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.10000 | 5.00000 | |
| beverages(nonalcoholic): | 0.10000 | 5.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 0.10000 | 5.00000 | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.10000 | 5.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | 0.10000 | 5.00000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 0.10000 | 5.00000 | |
| milk products: | 0.10000 | 5.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 0.20000 | 2.00000 | |
| snack foods: | - | - | |
| soft candy: | 0.10000 | 5.00000 | |
| soups: | 0.10000 | 5.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 0.10000 | 5.00000 | |
| 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 |
| 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):541-31-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :10925 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1228 |
| WGK Germany:3 |
| 3-methylbutane-1-thiol |
| Chemidplus:0000541311 |
| 3-methylbutane-1-thiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 10925 |
| Pubchem (sid): | 134975936 |
| (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): | HMDB33902 |
| FooDB: | FDB012097 |
| Export Tariff Code: | 2930.90.9190 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| FAO: | 3-Methylbutanethiol |
| FL | onion |
| iso | amylthiol |
| butane-1-thiol, 3-methyl- | |
| 1- | butanethiol, 3-methyl- |
| 3- | methyl butane thiol |
| 3- | methyl butane-1-thiol |
| 3- | methyl butanethiol |
| 3- | methyl butyl mercaptan |
| 3- | methyl-1-butane thiol |
| 3- | methyl-1-butanethiol |
| 3- | methyl-butane-1-thiol |
| 3- | methylbutane-1-thiol |
| 3- | methylbutanethiol |
| 3- | methylbutyl mercaptan |
| None found yet. Try the PubMed Search. |
