| Preferred name | methyl 2-methyl valerate |
| Trivial Name | methyl 2-methylpentanoate |
| Formula | C7 H14 O2 |
| CAS Number | 2177-77-7 |
| CAS Number | 2177-77-7 (R) |
| CAS Number | 151409-53-9 |
| FEMA Number | 3707 |
| Flavis Number | 9.549 |
| ECHA Number | 218-543-9 |
| FDA UNII | 25KKE63345 |
| Nikkaji Number | J45.093F |
| MDL | MFCD00036653 |
| xLogP3-AA | 2.10 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 213 methyl 2-methylpentanoate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 2177-77-7 ; METHYL 2-METHYLPENTANOATE |
| Synonyms |
|
| 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): | HMDB36237 |
| FooDB: | FDB015095 |
| Export Tariff Code: | 2915.90.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| BOC Sciences | Grau Aromatics |
| Penta International | Santa Cruz Biotechnology |
| SRS Aromatics | Synerzine |
| Penta International Corporation | SRS Aromatics Ltd |
| Material listed in food chemical codex | No |
| Molecular weight | 130.18698120117 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.248 to 7.331 |
| Refractive Index | 1.398 to 1.408 @ 20 °C |
| Vapor Pressure | 7.853 mmHg @ 25 °C |
| Vapor Density | 1 |
| Flash Point TCC Value | 32.22 °C TCC |
| logP (o/w) | 2.158 est |
| Solubility | |
| alcohol | Yes |
| water, 1070 mg/L @ 25 °C (est) | Yes |
| water | No |
| Odor Type: Fruity | |
| fruity, berry, apple, tropical, sweet, pineapple, banana, green, melon | |
| General comment | At 10.00 % in dipropylene glycol. fruity berry apple tropical |
| Mosciano, Gerard P&F 18, No. 3, 53, (1993) | Fruity, sweet, berry, pineapple, apple, banana, green melon and tropical |
| Flavor Type: Fruity | |
| fruity, apple green apple, grape, bubble gum, pineapple | |
| Mosciano, Gerard P&F 18, No. 3, 53, (1993) | At 5.00 ppm. Fruity, green apple, grape, bubble gum and pineapple-like |
| Used in baked goods, meat products and candy. | Fruity green |
| (data available) |
| Applications | |
| Odor purposes | Apple , Apple blossom , Crabapple , Apple green apple , Apple red apple , Banana , Boysenberry , Bramble arctic bramble blackberry , Crabapple blossom , Eglantine , Fig , Fruit , Grape , Hibiscus , Lotus , Mango , Marigold , Melon , Mint , Papaya , Passion fruit , Pear , Pear blossom , Pineapple , Quince , Reseda , Stephanotis , Valerian |
| Flavoring purposes | Candy , Cloudberry bakeapple , Curacao , Jackfruit , Marigold , Meat , Pear bartlett pear , Pear emperor pear , Tropical , Valerian |
| Other purposes | Blossom tropical blossom |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 10 - Flammable. R 38 - Irritating to 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 36 - Wear suitable protective clothing. | |
| 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: | |||
| 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 methyl 2-methyl valerate usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.15 (μg/capita/day) | ||
| 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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 0.25000 | |
| beverages(alcoholic): | - | 0.25000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 1.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 0.25000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.50000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 0.25000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.50000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | 0.25000 | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | 0.50000 | |
| soft candy: | - | 0.25000 | |
| 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 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission View page or View pdf |
| Flavouring Group Evaluation 01 Rev2 (FGE.01 Rev2): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 View page or View pdf |
| Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) 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 ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :519890 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3272 |
| WGK Germany:3 |
| methyl 2-methylpentanoate |
| Chemidplus:0002177777 |
| methyl (2R)-2-methylpentanoate |
| methyl (2S)-2-methylpentanoate |