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3-(methyl thio) hexanal
General Material Information
| Preferred name | 3-(methyl thio) hexanal |
| Trivial Name | 3-(Methylthio)hexanal |
| Short Description | 3-methylthiohexanal |
| Formula | C7 H14 O S |
| CAS Number | 38433-74-8 |
| FEMA Number | 3877 |
| Flavis Number | 12.279 |
| ECHA Number | 253-929-0 |
| FDA UNII | 1U9V3213BJ |
| Nikkaji Number | J294.659I |
| MDL | MFCD08457878 |
| xLogP3-AA | 1.60 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 469 3-methylthiohexanal |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 38433-74-8 ; 3-METHYLTHIOHEXENAL |
| 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 |
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 |
| HMDB (The Human Metabolome Database): | HMDB40186 |
| FooDB: | FDB019898 |
| Export Tariff Code: | 2912.19.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | 3-Methylthiohexanal |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 146.25277709961 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.046 to 8.055 |
| Refractive Index | 1.475 to 1.485 @ 20 °C |
| Boiling Point | 206 to 207°C @ 760 mm Hg |
| Vapor Pressure | 0.239 mmHg @ 25 °C |
| Flash Point TCC Value | 71.67 °C TCC |
| logP (o/w) | 2.117 est |
| Solubility | |
| alcohol | Yes |
| heptane | Yes |
| triacetin | Yes |
| water, 2235 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Buttery | |
| buttery, green, grassy, privet, fatty | |
| General comment | At 0.10 % in dipropylene glycol. butter green grassy privet |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Coffee |
| Flavoring purposes | Butter , Citrus , Fruit tropical fruit , Green , Meat , Savory , Tomato , Vegetable |
| Other purposes | Grass |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. 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 | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| Recommendation for 3-(methyl thio) hexanal usage levels up to: | |||
| not for fragrance use. | |||
| 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: | 0.50000 | 1.00000 | |
| beverages(nonalcoholic): | 0.05000 | 0.10000 | |
| beverages(alcoholic): | 0.50000 | 1.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 1.00000 | 5.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | 0.50000 | 1.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 0.50000 | 2.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | 1.00000 | 3.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 0.50000 | 1.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :3015979 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 3-methylsulfanylhexanal |
| Chemidplus:0038433748 |