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methyl hexanoate
General Material Information
| Preferred name | methyl hexanoate |
| Trivial Name | Methyl hexanoate |
| Short Description | methyl caproate |
| Formula | C7 H14 O2 |
| CAS Number | 106-70-7 |
| FEMA Number | 2708 |
| Flavis Number | 9.069 |
| ECHA Number | 203-425-1 |
| FDA UNII | 246364VPJS |
| Nikkaji Number | J43.566J |
| Beilstein Number | 1744683 |
| MDL | MFCD00009510 |
| COE Number | 319 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1871 methyl hexanoate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 106-70-7 ; METHYL HEXANOATE |
| 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 |
Literature & References
| methyl hexanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 106-70-7 |
| Pubchem (cid): | 7824 |
| Pubchem (sid): | 134971926 |
| Flavornet: | 106-70-7 |
| Pherobase: | View |
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 |
| CHEBI: | View |
| Golm Metabolome Database: | Search |
| HMDB (The Human Metabolome Database): | HMDB35238 |
| FooDB: | FDB013896 |
| YMDB (Yeast Metabolome Database): | YMDB01333 |
| Export Tariff Code: | 2915.90.5050 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 130.18698120117 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.322 to 7.397 |
| Refractive Index | 1.402 to 1.411 @ 20 °C |
| Boiling Point | 148 to 150°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 3.953 mmHg @ 25 °C |
| Vapor Density | 4.4 |
| Flash Point TCC Value | 45 °C TCC |
| logP (o/w) | 2.314 est |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| water, 1330 mg/L @ 20 °C (exp) | Yes |
Organoleptic Properties
| Odor Type: Fruity | |
| ethereal, fruity, pineapple, apricot, strawberry, fruit tropical fruit, banana, bacon | |
| Odor strength | medium |
| Substantivity | < 1 hour(s) at 100.00 % |
| Luebke, William tgsc, (2021) | At 100.00 %. ethereal fruity pineapple apricot strawberry tropical fruit banana bacon |
| Flavor Type: Fruity | |
| fruity, fatty, banana, pineapple, apple, apricot, fruit tropical fruit, creamy | |
| Luebke, William tgsc, (2021) | Fruity fatty banana pineapple apple apricot tropical fruit creamy |
| General comment | Fruity, fatty |
| In flavor compositions it is used for nearly all kind of fruit. | Sweet fruity, pineapple, apple and apricot |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Blackberry , Cranberry , Currant , Grape , Hop , Huckleberry , Melon , Papaya , Passion fruit , Pineapple , Raspberry , Strawberry |
| Flavoring purposes | Brandy apple brandy , Beer , Cheese blue cheese , Cheese cheddar cheese , Cheese swiss cheese , Cloudberry bakeapple , Lamb , Lamb , Olive |
| Other purposes | Emollients , Skin conditioning |
| Cosmetic purposes | Perfuming agents , Skin conditioning , Skin conditioning - emollient |
Safety Information
Safety information
| 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. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 745, 1982. | |
| Dermal Toxicity: | |
| skin-guinea pig LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 745, 1982. | |
| Inhalation Toxicity: | |
| inhalation-mouse LC50 14000 mg/m3/2H "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 82, 1982. | |
Safety in use information
| Category: | |||
| cosmetic, 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 hexanoate usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| 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: | - | 20.00000 | |
| beverages(nonalcoholic): | - | 4.10000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 8.50000 | |
| fruit ices: | - | 8.50000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 5.30000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) 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 Substance Registry Services (TSCA):106-70-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7824 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3272 |
| WGK Germany:1 |
| methyl hexanoate |
| Chemidplus:0000106707 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:MO8401400 for cas# 106-70-7 |