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propyl mercaptan
General Material Information
| Preferred name | propyl mercaptan |
| Trivial Name | 1-Propanethiol |
| Short Description | propanethiol |
| Formula | C3 H8 S |
| CAS Number | 107-03-9 |
| FEMA Number | 3521 |
| Flavis Number | 12.071 |
| ECHA Number | 203-455-5 |
| FDA UNII | 4AB0N08V2H |
| Nikkaji Number | J4.046K |
| Beilstein Number | 1696860 |
| MDL | MFCD00004900 |
| COE Number | 11816 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 509 propanethiol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 107-03-9 ; PROPYL MERCAPTAN |
| 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
| propane-1-thiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 107-03-9 |
| Pubchem (cid): | 7848 |
| Pubchem (sid): | 134972244 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C08390 |
| HMDB (The Human Metabolome Database): | HMDB34238 |
| FooDB: | FDB012550 |
| Export Tariff Code: | 2930.90.9190 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| FAO: | Propanethiol |
| Formulations/Preparations: grade: 95% | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 76.161758422852 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.006 to 7.048 |
| Refractive Index | 1.436 to 1.439 @ 20 °C |
| Melting Point | -113 to -111°C @ 760 mm Hg |
| Boiling Point | 67 to 68°C @ 760 mm Hg |
| Vapor Pressure | 155.584 mmHg @ 25 °C |
| Vapor Density | 2.54 |
| Flash Point TCC Value | -20 °C TCC |
| logP (o/w) | 1.81 |
| Solubility | |
| alcohol | Yes |
| oils | Yes |
| propylene glycol | Yes |
| water, 3780 mg/L @ 25 °C (est) | Yes |
| water, 1900 mg/L @ 25 °C (exp) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Alliaceous | |
| cabbage, gassy, sweet, onion | |
| Odor strength | very high , recommend smelling in a 0.01 % solution or less |
| Substantivity | 8 hour(s) at 100.00 % |
| General comment | At 0.10 % in propylene glycol. cabbage natural gas sweet onion |
| Flavor Type: Alliaceous | |
| alliaceous, fresh, meaty, onion, sulfurous | |
| General comment | Alliaceous fresh meaty onion sulfurous |
Occurrences
| (data available) |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 11 - Highly flammable. R 22 - Harmful if swallowed. R 37/38 - Irritating to respiratory system and skin. R 41 - Risk of serious damage to eyes. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. 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: | |
| gavage-rat LD50 1790 mg/kg (Fairchild & Stokinger, 1958) intraperitoneal-rat LD50 515 mg/kg BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. gavage-rat LD50 134 mg/kg Referred to as 3-mercapto-1-propanol in reference (Elf Atochem, 1981b) oral-rat LD50 1790 mg/kg BEHAVIORAL: COMA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| inhalation-rat LC50 7300 ppm/4H BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. inhalation-mouse LC50 4010 ppm/4H SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 2.20 (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: 10 | |||
| Click here to view publication 10 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.92900 | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | 1.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 1.25000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.00000 | |
| fruit ices: | - | 1.00000 | |
| gelatins / puddings: | - | 1.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | 2.20000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 2.20000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 3.00000 | |
| 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 |
| 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 |
| NIOSH International Chemical Safety Cards:search |
| NIOSH Pocket Guide:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):107-03-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7848 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2402 |
| WGK Germany:3 |
| propane-1-thiol |
| Chemidplus:0000107039 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:107-03-9 |