| Preferred name | ethyl hexanoate |
| Trivial Name | Ethyl hexanoate |
| Short Description | ethyl caproate |
| Formula | C8 H16 O2 |
| CAS Number | 123-66-0 |
| Deleted CAS Number | 8068-81-3 |
| FEMA Number | 2439 |
| Flavis Number | 9.06 |
| ECHA Number | 204-640-3 |
| FDA UNII | FLO6YR1SHT |
| Nikkaji Number | J2.500C |
| Beilstein Number | 1701293 |
| MDL | MFCD00009511 |
| COE Number | 310 |
| xLogP3-AA | 2.40 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 31 ethyl hexanoate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 123-66-0 ; ETHYL HEXANOATE |
| 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 |
| ethyl hexanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 123-66-0 |
| Pubchem (cid): | 31265 |
| Pubchem (sid): | 134974573 |
| Flavornet: | 123-66-0 |
| Pherobase: | View |
| (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 |
| HMDB (The Human Metabolome Database): | HMDB40209 |
| FooDB: | FDB019921 |
| YMDB (Yeast Metabolome Database): | YMDB01381 |
| Export Tariff Code: | 2915.90.5050 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Material listed in food chemical codex | Yes |
| Molecular weight | 144.21391296387 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.156 to 7.198 |
| Refractive Index | 1.53 to 1.534 @ 20 °C |
| Melting Point | -68 to -67°C @ 760 mm Hg |
| Boiling Point | 166 to 168°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 1.665 mmHg @ 25 °C |
| Vapor Density | 4.9 |
| Flash Point TCC Value | 49.44 °C TCC |
| logP (o/w) | 2.823 est |
| Solubility | |
| alcohol | Yes |
| fixed oils | Yes |
| water, 308.7 mg/L @ 25 °C (est) | Yes |
| propylene glycol | Yes |
| water, 629 mg/L @ 25 °C (exp) | Yes |
| glycerin | No |
| Odor Type: Fruity | |
| sweet, fruity, pineapple, waxy, green, banana, fatty, estery | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1990) | At 1.00 % in dipropylene glycol. sweet fruity pineapple waxy green banana |
| Mosciano, Gerard P&F 22, No. 6, 41, (1997) | At 2.00 %. Sweet, fruity, pineapple, waxy, fatty and estry with a green banana nuance |
| Flavor Type: Fruity | |
| sweet, pineapple, fruity, waxy, banana, green, estery | |
| Mosciano, Gerard P&F 22, No. 6, 41, (1997) | At 7.00 ppm. Sweet, pineapple, fruity, waxy and banana with a green, estry nuance |
| Useful in: brown others, dairy, fruity red, fruity yellow, fruity tropical, fruity others, sweet others, alcoholics. | Fruity, strawberry, sweet, rum, pineapple |
| General comment | Fruity, tropical fruits, rum note, waxy |
| (data available) |
| Applications | |
| Odor purposes | Apple , Apple green apple , Banana , Butter , Cognac , Fruit , Grape , Herbal , Kiwi , Moss , Papaya , Pear , Pineapple , Rose , Saffron , Strawberry , Valerian , Wine |
| Flavoring purposes | Beer , Valerian |
| Other purposes | Diffusion |
| Cosmetic purposes | Perfuming agents |
| 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 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. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| 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 ethyl 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: | - | 12.00000 | |
| beverages(nonalcoholic): | - | 7.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 32.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 18.00000 | |
| fruit ices: | - | 18.00000 | |
| gelatins / puddings: | - | 10.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 12.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 1.30000 | |
| 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: | - | - | |
| European Food Safety Authority (EFSA) reference(s): |
| Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 View page or View pdf |
| Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 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 |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):123-66-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :31265 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3272 |
| WGK Germany:1 |
| ethyl hexanoate |
| Chemidplus:0000123660 |
| RTECS:MO7735000 for cas# 123-66-0 |