Ethyl heptanoate
Synonym(s):Ethyl enanthate
- CAS NO.:106-30-9
- Empirical Formula: C9H18O2
- Molecular Weight: 158.24
- MDL number: MFCD00009538
- EINECS: 203-382-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-22 17:51:23
What is Ethyl heptanoate ?
Description
Ethyl heptanoate is the ester resulting from the condensation of heptanoic acid and ethanol. It is used in the flavor industry because of its odor that is similar to grape.
Chemical properties
Ethyl Heptanoate is a clear colorless liquid that has a fruity odor reminiscent of cognac with a corresponding taste. It has been also reported to have a winy-brandy odor. It is found in fruits and alcoholic beverages and is used in appropriate aroma compositions. It is used as a flavor ingredient in foods.
Occurrence
Reported found in apple, tangerine peel, grape, pineapple, strawberry, peas, hops beer, apricot, Vitis labrusca, cheeses, butter, milk, beer, cognac, brandy, whiskey, rum, grape wines, cocoa, filberts, olive, passion fruit, plums, corn oil and nectarines.
The Uses of Ethyl heptanoate
Ethyl heptanoate was used in a nickel nanoparticles-catalysed, transfer hydrogenation of olefins.
The Uses of Ethyl heptanoate
In the manufacture of liqueurs. Plays an important part in the formulation of raspberry, gooseberry, grape, cherry, apricot, currant, bourbon, and other artificial essences.
What are the applications of Application
Ethyl heptanoate is an aromatic compound resembling grape
Definition
ChEBI: Ethyl heptanoate is the fatty acid ethyl ester of heptanoic acid. It has a role as a metabolite. It is functionally related to a heptanoic acid.
Preparation
By esterification of heptoic acid; by reacting the silver salt of the acid with ethyl-iodide or with ethyl alcohol in the presence of mineral acids.
Aroma threshold values
Detection: 2 ppb
Taste threshold values
Taste characteristics at 10 ppm: fruity and waxy with a green winey nuance.
General Description
Ethyl heptanoate, an aroma compound, was released from a series of sodium caseinate-stabilized, n-eicosane emulsions during the investigation of solid and liquid lipid droplet concentration.
Flammability and Explosibility
Not classified
Safety Profile
Low toxicity by ingestion and skin contact. Flammable liquid when exposed to heat, sparks, or flame. When heated to decomposition it emits acrid smoke and irritating fumes.
References
[1] George A. Burdock, Fenaroli's Handbook of Flavor Ingredients, Sixth Edition, 2010
[2] Fenaroli's Handbook of Flavor
[3] Common Fragrance And Flavor Materials
[4] Volatile flavor compounds, total polyphenolic contents and antioxidant activities of a China gingko wine.
[5] RIFM fragrance ingredient safety assessment, ethyl heptanoate, CAS Registry Number 106-30-9.
Properties of Ethyl heptanoate
Melting point: | -66 °C (lit.) |
Boiling point: | 188-189 °C (lit.) |
Density | 0.87 g/mL at 25 °C (lit.) |
vapor pressure | 4.27hPa at 20℃ |
refractive index | n |
FEMA | 2437 | ETHYL HEPTANOATE |
Flash point: | 151 °F |
storage temp. | Sealed in dry,Room Temperature |
solubility | Insoluble in water |
form | neat |
form | Liquid |
color | Colorless to Almost colorless |
Odor | at 100.00 %. fruity pineapple cognac rum wine |
Water Solubility | 126mg/L at 20℃ |
JECFA Number | 32 |
Merck | 14,3835 |
BRN | 1752311 |
CAS DataBase Reference | 106-30-9(CAS DataBase Reference) |
NIST Chemistry Reference | Heptanoic acid, ethyl ester(106-30-9) |
EPA Substance Registry System | Heptanoic acid, ethyl ester (106-30-9) |
Safety information for Ethyl heptanoate
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H227:Flammable liquids |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
Computed Descriptors for Ethyl heptanoate
InChIKey | TVQGDYNRXLTQAP-UHFFFAOYSA-N |
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