Preferred name | methional |
Trivial Name | Methional |
Short Description | propionaldehyde, 3-(methylthio)- |
Formula | C4 H8 O S |
CAS Number | 3268-49-3 |
FEMA Number | 2747 |
Flavis Number | 12.001 |
ECHA Number | 221-882-5 |
FDA UNII | 0AAO8V0F1R |
Nikkaji Number | J13.022B |
Beilstein Number | 1739289 |
MDL | MFCD00007022 |
COE Number | 125 |
xLogP3-AA | 0.30 (est) |
Bio Activity Summary | External link |
NMR Predictor | External link |
JECFA Food Flavoring | 466 3-(methylthio)propionaldehyde |
FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
FDA Mainterm | 3268-49-3 ; 3-(METHYLTHIO)PROPIONALDEHYDE |
Synonyms |
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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-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 |
Material listed in food chemical codex | No |
Molecular weight | 104.17195892334 |
Specific gravity | @ 25 °C |
Pounds per Gallon | 8.612 to 8.779 |
Refractive Index | 1.475 to 1.495 @ 20 °C |
Boiling Point | 165 to 166°C @ 760 mm Hg |
Acid Value | 10 max KOH/g |
Vapor Pressure | 1.641 mmHg @ 25 °C |
Vapor Density | 3.5 |
Flash Point TCC Value | 63.89 °C TCC |
logP (o/w) | 0.436 est |
Shelf life | 6 months (or longer if stored properly.) |
Storage notes | Refrigerate in tightly sealed containers. |
Solubility | |
alcohol | Yes |
dipropylene glycol | Yes |
propylene glycol | Yes |
water, 5.055e+004 mg/L @ 25 °C (est) | Yes |
water | No |
Odor Type: Vegetable | |
musty, potato, tomato, earthy, vegetable, creamy, oily, yeasty, bready, cheesy limburger cheese, savory, meaty, brothy | |
General comment | At 0.10 % in propylene glycol. musty potato tomato earthy vegetable creamy |
Mosciano, Gerard P&F 24, No. 5, 41, (1999) | At 0.10 %. Vegetable oil. Creamy tomato, potato skin and French fry, yeasty, bready, limburger cheese with a savory meaty brothy nuance |
Flavor Type: Tomato | |
musty, tomato, potato, vegetable, moldy, cheesy, onion, beefy, brothy, egg nog, seafood | |
Mosciano, Gerard P&F 24, No. 5, 41, (1999) | At 0.01 - 5.00 ppm. Musty tomato, potato, vegetative, mold ripened cheeses, onion, beefy brothy and egg and seafood nuances |
Used in potato, cooked meat/onion flavours in sauces at12ppm, bakery and frozen foods at 5ppm, dairy and drinks at 2ppm, oils and fats at 0.2ppm. | Earthy |
General comment | Fatty raw potatoes taste, somewhat cabbage sulfury |
(data available) |
Applications | |
Flavoring purposes | Bakery , Beverage , Bread white bread , Cabbage , Cheese , Dairy , Fat , Fruit tropical fruit , Macadamia , Meat , Mushroom , Onion , Peanut , Potato chip , Seafood , Tomato |
Other purposes | Oils |
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 SECRETION BEHAVIORAL: 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: DYSPNEA BEHAVIORAL: 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 |