Ethyl heptanoate

Basic Information

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CAS Number

106-30-9

Molecular Formula

C9H18O2

Molecular Weight

158.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

−66 °C

Boiling Point

188-189 °C

Refractive Index

n20/D 1.412(lit.)

SMILES

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CCCCCCC(=O)OCC

InChI

InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3

InChIKey

TVQGDYNRXLTQAP-UHFFFAOYSA-N

LogP

2.5199000000000007

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

99.7

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Sensitiveness

对湿度敏感

Toxicity

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

Synonyms & References

English

Ethyl heptanoate
Ethyl heptylate
Ethyl Heptanoate (Heptanoic Acid Ethyl Ester)
Aether oenanthicus
Cognac oil
Cognac oil
Enanthic Acid Ethyl Ester
Enanthylic ether
Ethyl enanthate
ethyl enanthoate
Ethyl heptoate
ethyl n-heptanoate
Ethyl n-heptoate
ethyl oenanthate
Grape oil
heptanoic acid ethyl ester
Oenanthic ether
HMA-200
Ethyl heptanoate,AR
Ethyl heptanoate,CP
Enanthic acid, ethyl ester (4CI)
Ethyl oenanthylate
NSC 8891
Wine oil
FEMA 2441
FEMA 2437
Ethylenantat
ethylenantate
ETHYLHEPTYLAT
Heptanoic acid, ethyl ester
Oleum vitis viniferae

MDL Number

MFCD00009538

Customs Code

29159080

FAQ

What is Ethyl heptanoate (CAS: 106-30-9)?

Ethyl heptanoate is a clear, colorless to pale yellow liquid with a characteristic fruity, floral aroma. It has the chemical formula C8H16O2 and is used in the food, flavor, and fragrance industries as a synthetic flavoring agent. It is also utilized in perfumery and as a solvent.

What are the main uses of Ethyl heptanoate (CAS: 106-30-9)?

Ethyl heptanoate is primarily used in the food and beverage industry as a flavoring agent, imparting a fruity and floral taste to products such as candies, baked goods, and beverages. It is also used in the perfume and fragrance industry to create scents and in laboratories as a solvent.

Is Ethyl heptanoate (CAS: 106-30-9) safe?

Ethyl heptanoate is considered safe for use in food and fragrance products when used in accordance with regulatory guidelines. It is generally recognized as safe (GRAS) by the FDA. However, it is important to handle it with care, as it is flammable and may cause irritation to the eyes and skin. Proper ventilation and protective equipment should be used during handling.

How should Ethyl heptanoate (CAS: 106-30-9) be stored?

Ethyl heptanoate should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation and contamination. The storage temperature should ideally be below 25°C (77°F) to maintain stability. Avoid storing it in areas with potential for temperature fluctuations or exposure to moisture.