| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 75-33-2 |
| ECHA EC Number: | 200-861-4 |
| FDA UNII: | E52LR62ETC |
| CoE Number: | 11565 |
| Category: | flavoring agents |
| IUPAC Name: | isopropyl mercaptan |
| InChI : | InChI=1/C3H8S/c1-3(2)4/h3-4H,1-2H3 |
| Std.InChI: | InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3 |
| InChIKey : | KJRCEJOSASVSRA-UHFFFAOYAY |
| Std.InChIKey: | KJRCEJOSASVSRA-UHFFFAOYSA-N |
| SMILES : | CC(C)S |
| MDL: | MFCD00004863 |
| Molar Refractivity : | 23.80 ± 0.3 cm3 (est) |
| Parachor : | 200.7 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.428 ± 0.02 (est) |
| Surface Tension : | 22.2 ± 3.0 dyne/cm (est) |
| Density : | 0.823 ± 0.06 g/cm3 (est) |
| Polarizability : | 9.43 ± 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: | 510 2-propanethiol |
| DG SANTE Food Flavourings: | 12.197 propane-2-thiol |
| FEMA Number: | 3897 2-propanethiol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 75-33-2 ; 2-PROPANETHIOL |
| None found |
| 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 23 - Do not breath vapour. 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 33 - Take precautionary measures against static discharge. 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-mouse LC50 130000 mg/m3/1H BEHAVIORAL: REGIDITYSKIN AND APPENDAGES (SKIN): HAIR: OTHERBEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) National Technical Information Service. Vol. OTS0571940 | |
| Category: | |||
| flavoring agents | |||
| Recommendation for isopropyl 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: | 20.00000 | 200.00000 | |
| 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 |
| 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 |
| Scientific Opinion on the safety and efficacy of aliphatic and aromatic mono- and di-thiols and mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups (chemical group 20) when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):75-33-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6364 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2402 |
| WGK Germany:3 |
| propane-2-thiol |
| Chemidplus:0000075332 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:TZ7302000 for cas# 75-33-2 |
| propane-2-thiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 75-33-2 |
| Pubchem (cid): | 6364 |
| Pubchem (sid): | 134970893 |
| (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 |
| KEGG (GenomeNet): | C08391 |
| HMDB (The Human Metabolome Database): | HMDB31634 |
| FooDB: | FDB008281 |
| Export Tariff Code: | 2930.90.9190 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | 2-Propanethiol |
| Formulations/Preparations: •liquid grade pennwalt corp•technical grade phillips chemical | |
| FL | chicken |
| FL | chocolate cocoa |
| FL | coffee |
| FL | egg |
| FL | turkey |
| 2- | mercaptopropane |
| 1- | methyl ethane thiol |
| 1- | methylethanethiol |
| 2- | propane thiol |
| iso | propane thiol |
| propane-2-thiol | |
| 2- | propanethiol |
| iso | propanethiol |
| 2- | propyl mercaptan |
| iso | propyl thiol |
| 2- | propylmercaptan |
| iso | propylmercaptan |
| iso | propylthiol |
| None found yet. Try the PubMed Search. |
