| Preferred name | potato butyraldehyde |
| Trivial Name | 3-methylsulfanylbutanal |
| Short Description | 3-(methylthio)butanal |
| Formula | C5 H10 O S |
| CAS Number | 16630-52-7 |
| CAS Number | 16630-52-7 (R) |
| CAS Number | 16630-52-7 (S) |
| FEMA Number | 3374 |
| Flavis Number | 12.056 |
| ECHA Number | 240-678-7 |
| FDA UNII | 1B27G5W046 |
| Nikkaji Number | J318.266E |
| MDL | MFCD00036622 |
| COE Number | 11687 |
| xLogP3-AA | 0.70 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 467 3-(methylthio)butanal |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 16630-52-7 ; 3-(METHYLTHIO)BUTANAL |
| 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 |
| (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): | HMDB41491 |
| FooDB: | FDB021461 |
| Export Tariff Code: | 2930.90.9999 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | 3-(Methylthio)butanal |
| Material listed in food chemical codex | No |
| Molecular weight | 118.19889831543 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.469 to 11.758 |
| Refractive Index | 1.433 to 1.438 @ 20 °C |
| Boiling Point | 63 to 65°C @ 10 mm Hg |
| Boiling Point | 190 to 192°C @ 760 mm Hg |
| Vapor Pressure | 1.233 mmHg @ 25 °C |
| Vapor Density | 4 |
| Flash Point TCC Value | 48.89 °C TCC |
| logP (o/w) | 0.789 est |
| Solubility | |
| alcohol | Yes |
| water, 1.994e+004 mg/L @ 25 °C (est) | Yes |
| oils | Yes |
| propylene glycol | Yes |
| water | No |
| Odor Type: Green | |
| green, musk, buchu, potato chip, sulfurous, vegetable, cabbage, fishy | |
| General comment | At 0.10 % in dipropylene glycol. green musk buchu potato chip |
| Mosciano, Gerard P&F 18, No. 3, 53, (1993) | Sulfureous, vegetative, cabbage-like and green with a fishy nuance |
| Flavor Type: Vegetable | |
| vegetable, tomato, fishy, sulfurous | |
| Mosciano, Gerard P&F 18, No. 3, 53, (1993) | At 0.20 ppm. Vegetative, tomato, fishy and sulfureous |
| Used in condiments, pickles, vegetable flavors. | Green |
| Sulphurous, vegetative, cabbage-like and green with a fishy nuance; and taste: vegetative, tomato, fishy and sulphurous" at 0.2 ppm. Closely related to 3-methylthiopropanal (Methional: FEMA# 2747), an important contributor to tomato flavor. The description given by us corresponds to that of Fischetti (1980). Used in Tomato, Vegetable, Pickle and Condiment flavors. Normal use levels in finished consumer product: up to 2 ppm. | Cooked tomato & fried, 'Soy sauce' -like |
| (data available) |
| Applications | |
| Flavoring purposes | Buchu leaf , Cabbage , Fish , Green , Pickle , Potato chip , Tomato , Vegetable |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 10 - 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 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 37/39 - Wear suitable 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 potato butyraldehyde usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.085 (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: 6 | |||
| Click here to view publication 6 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 2.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | 2.00000 | |
| 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 |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):16630-52-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61845 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1989 |
| WGK Germany:3 |
| 3-methylsulfanylbutanal |
| Chemidplus:0016630527 |
| (3R)-3-methylsulfanylbutanal |
| (3S)-3-methylsulfanylbutanal |