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3-methyl valeric acid
General Material Information
| Preferred name | 3-methyl valeric acid |
| Trivial Name | 3-Methylpentanoic acid |
| Short Description | 3-methylvaleric acid |
| Formula | C6 H12 O2 |
| CAS Number | 105-43-1 |
| FEMA Number | 3437 |
| Flavis Number | 8.056 |
| ECHA Number | 203-297-7 |
| FDA UNII | 85FS4Y39LJ |
| Nikkaji Number | J95.910C |
| Beilstein Number | 1720696 |
| MDL | MFCD00002729 |
| COE Number | 10149 |
| xLogP3-AA | 1.60 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 262 3-methylpentanoic acid |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 105-43-1 ; 3-METHYLPENTANOIC ACID |
| 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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB33774 |
| FooDB: | FDB011927 |
| Export Tariff Code: | 2915.90.1800 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 116.16004180908 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.273 to 8.071 |
| Refractive Index | 1.365 to 1.456 @ 20 °C |
| Boiling Point | 196 to 198°C @ 760 mm Hg |
| Vapor Pressure | 0.147 mmHg @ 25 °C |
| Vapor Density | 1 |
| Flash Point TCC Value | 85 °C TCC |
| logP (o/w) | 1.56 est |
| Solubility | |
| alcohol | Yes |
| water, 5266 mg/L @ 25 °C (est) | Yes |
| oils | Yes |
| propylene glycol | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Animal | |
| animal, sharp, acidic, cheesy, green, fruity, sweaty | |
| Odor strength | medium , recommend smelling in a 1.00 % solution or less |
| Substantivity | > 336 hour(s) at 100.00 % |
| General comment | At 1.00 % in dipropylene glycol. animal sharp acidic cheesy green fruity sweaty |
| Mosciano, Gerard P&F 16, No. 2, 49, (1991) | Animalic, sharp acidic cheesey, green with a fruity sweaty nuance |
| Flavor Type: Sour | |
| sour, cheesy, fresh, fruity | |
| Mosciano, Gerard P&F 16, No. 2, 49, (1991) | At 30.00 ppm. Sour, cheesey, fresh with fruity notes |
| Can be used in a variety of aged cheese flavors, especially cheddar, parmesan, and romano. | Strong, acidic, slightly fruity, cheesy, sweaty |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Flavoring purposes | Apple , Cheese , Herbal , Strawberry |
| Other purposes | Topnotes |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| C - Corrosive. | |
| R 21 - Harmful in contact with skin. R 34 - Causes burns. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| Recommendation for 3-methyl valeric acid 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: 8. Update in publication number(s): 29 | |||
| Click here to view publication 8 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 2.00000 | 5.00000 | |
| beverages(nonalcoholic): | 2.00000 | 2.00000 | |
| beverages(alcoholic): | 0.20000 | 100.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 5.00000 | 5.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 2.00000 | 2.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 2.00000 | 2.00000 | |
| 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: | - | - | |
| reconstituted vegetables: | 0.30000 | 3.00000 | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 1.00000 | 5.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):105-43-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7755 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3265 |
| WGK Germany:3 |
| 3-methylpentanoic acid |
| Chemidplus:0000105431 |