Ethyl heptanoate Chemical Properties

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℃

FEMA 

2437 | ETHYL HEPTANOATE

refractive index 

n20/D 1.412(lit.)

Flash point:

151 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

Insoluble in water

form 

Liquid

color 

Colorless to Almost colorless

Odor

at 100.00 %. fruity pineapple cognac rum wine

Odor Type

fruity

Water Solubility 

126mg/L at 20℃

JECFA Number

32

Merck 

14,3835

BRN 

1752311

InChIKey

TVQGDYNRXLTQAP-UHFFFAOYSA-N

LogP

3.98 at 20℃

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

Hazard Codes 

Xi

Risk Statements 

36/37/38-22

Safety Statements 

37/39-26-24/25

RIDADR 

UN 1993 / PGIII

WGK Germany 

1

RTECS 

MJ2087000

TSCA 

Yes

HS Code 

29159080

Toxicity

LD50 orally in rats: >34640 mg/kg (Jenner)

MSDS

• Language:English Provider:Ethyl heptanoate
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Ethyl heptanoate Usage And Synthesis

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.

Uses

In the manufacture of liqueurs. Plays an important part in the formulation of raspberry, gooseberry, grape, cherry, apricot, currant, bourbon, and other artificial essences.

Uses

Ethyl heptanoate was used in a nickel nanoparticles-catalysed, transfer hydrogenation of olefins.

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.

Ethyl heptanoate (106-30-9)Related Product Information

• Ethyl pyruvate
• Acetonylsuccinic acid diethyl ester
• Diethyl maleate
• Ethyl acetate
• Trinexapac-ethyl
• Ethyl cinnamate
• Diethyl pimelate
• 2-Ethoxyethanol
• Ethanol
• Ethyl formate
• Triethyl citrate
• ISOXADIFEN-ETHYL
• ETHYL STEARATE
• Triethyl acetyl citrate
• Ethyl propionate
• Ethylparaben
• Diethyl malonate
• Ethyl glyoxalate