| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 3268-49-3 |
| ECHA EC Number: | 221-882-5 |
| FDA UNII: | 0AAO8V0F1R |
| CoE Number: | 125 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | methional |
| InChI : | InChI=1/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3 |
| Std.InChI: | InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3 |
| InChIKey : | CLUWOWRTHNNBBU-UHFFFAOYAN |
| Std.InChIKey: | CLUWOWRTHNNBBU-UHFFFAOYSA-N |
| SMILES : | CSCCC=O |
| MDL: | MFCD00007022 |
| Molar Refractivity : | 28.76 ± 0.3 cm3 (est) |
| Parachor : | 250.8 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.455 ± 0.02 (est) |
| Surface Tension : | 31.5 ± 3.0 dyne/cm (est) |
| Density : | 0.984 ± 0.06 g/cm3 (est) |
| Polarizability : | 11.40 ± 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: | 466 3-(methylthio)propionaldehyde |
| DG SANTE Food Flavourings: | 12.001 3-(methylthio)propionaldehyde |
| FEMA Number: | 2747 3-(methylthio)propionaldehyde |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 3268-49-3 ; 3-(METHYLTHIO)PROPIONALDEHYDE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
| Appearance: | colorless to yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.03500 to 1.05500 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.612 to 8.779 |
| Refractive Index: | 1.47500 to 1.49500 @ 20.00 °C. |
| Boiling Point: | 165.00 to 166.00 °C. @ 760.00 mm Hg |
| Acid Value: | 10.00 max. KOH/g |
| Vapor Pressure: | 1.641000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 3.5 ( Air = 1 ) |
| Flash Point: | 147.00 °F. TCC ( 63.89 °C. ) |
| logP (o/w): | 0.436 (est) |
| Shelf Life: | 6.00 month(s) or longer if stored properly. |
| Storage: | refrigerate in tightly sealed containers. |
| Soluble in: | |
| alcohol | |
| dipropylene glycol | |
| propylene glycol | |
| water, 5.055e+004 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 20/22 - Harmful by inhalation and if swallowed. R 36/38 - Irritating to skin and eyes. S 01/02 - Keep locked up and 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 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. S 45 - In case of accident or if you feel unwell seek medical advice immediately. | |
| 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: | |
| oral-rat LD50 [sex: M,F] M:1000 F:1680 mg/kg (Ballantyne & Myers, 2000) oral-mouse LD50 1620 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(1), Pg. 85, 1984. oral-rat LD50 700 mg/kg GASTROINTESTINAL: ALTERATION IN GASTRIC SECRETIONBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: MUSCLE WEAKNESS National Technical Information Service. Vol. OTS0546239 | |
| Dermal Toxicity: | |
| skin-rabbit LDLo 2500 mg/kg LUNGS, THORAX, OR RESPIRATION: DYSPNEABEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: EXCITEMENT National Technical Information Service. Vol. OTS0534366 | |
| Inhalation Toxicity: | |
| inhalation-rat LC50 5820 mg/m3/4H Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(1), Pg. 85, 1984. inhalation-mouse LC50 5400 mg/m3/2H Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(1), Pg. 85, 1984. | |
| 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 | |||
| Recommendation for methional usage levels up to: | |||
| 0.0500 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 28.00 (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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.66000 | |
| beverages(nonalcoholic): | - | 0.35000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 0.62000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.01000 | 1.00000 | |
| fruit ices: | 0.01000 | 1.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 0.01000 | 1.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 1.90000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| 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 |
| 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 |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):3268-49-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :18635 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2785 |
| WGK Germany:1 |
| 3-methylsulfanylpropanal |
| Chemidplus:0003268493 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:3268-49-3 |
| 3-methylsulfanylpropanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 3268-49-3 |
| Pubchem (cid): | 18635 |
| Pubchem (sid): | 134982803 |
| Flavornet: | 3268-49-3 |
| Pherobase: | View |
| (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 |
| HMDB (The Human Metabolome Database): | HMDB31857 |
| FooDB: | FDB008541 |
| YMDB (Yeast Metabolome Database): | YMDB01466 |
| Export Tariff Code: | 2930.90.9190 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| FAO: | 3-(Methylthio)propionaldehyde |
| asparagus Search Trop Picture | |
| bean Search PMC Picture | |
| beer Search PMC Picture | |
| bread Search PMC Picture | |
| cheese @ 68.00 ± 22 µg% Data GC Search PMC Picture | |
| cheese cheddar cheese Search PMC Picture | |
| cheese gorgonzola cheese Search PMC Picture | |
| chicken cooked chicken Search PMC Picture | |
| ham PbMd Search PMC Picture | |
| honey buckwheat honey PbMd Search PMC Picture | |
| macadamia nut Search Trop Picture | |
| mushroom Search PMC Picture | |
| peanut Search Trop Picture | |
| potato baked potato Search Trop Picture | |
| potato chip Search PMC Picture | |
| pumpkin Search Trop Picture | |
| tamarind fruit oil Search Trop Picture | |
| tamarind seed oil Search Trop Picture | |
| tomato Search Trop Picture |
| methional (3 methyl thio-propanal) | |
| methional 10% in ethyl alcohol | |
| methional 5% in ETOH natural | |
| methional 5% in OS natural | |
| methional FCC | |
| methional natural | |
| beta- | methiopropionaldehyde |
| beta-( | methyl mercapto) propionaldehyde |
| methyl mercaptopropionaldehyde | |
| 3- | methyl mercaptopropionaldehyde |
| beta- | methyl mercaptopropionaldehyde |
| methyl mercaptopropionic aldehyde | |
| 3- | methyl mercaptopropyl aldehyde |
| 3-( | methyl thio) propanal |
| 3-( | methyl thio) propionaldehyde |
| beta-( | methyl thio) propionaldehyde |
| 3- | methyl thiopropionaldehyde |
| beta- | methyl thiopropionaldehyde |
| 3- | methyl-thio-propanal |
| 3-( | methylmercapto)propionaldehyde |
| beta-( | methylmercapto)propionaldehyde |
| 3- | methylmercaptopropyl aldehyde |
| 3-( | methylsulfanyl)propanal |
| 3- | methylsulfanylpropanal |
| 3- | methylthio propionaldehyde |
| 3- | methylthio-propionaldehyde |
| 3-( | methylthio)propanal |
| 3-( | methylthio)propionaldehyde |
| beta-( | methylthio)propionaldehyde |
| 3- | methylthiopropanal |
| 3- | methylthiopropionaldehyde |
| propanal, 3-(methylthio)- | |
| propionaldehyde, 3-(methylthio)- | |
| 4- | thiapentanal |
