Ethyl heptanoate

Basic Information

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CAS Number

8016-21-5

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

Density

0.870 g/mL at 25 °C

Refractive Index

n20/D 1.428

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

301

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

Oils, cognac
COGNAC OIL
Vitis vinifera
tert-butyl 4-amino-1H-indazole-1-carboxylate
1-Boc-4-aminoindazole
tert-butyl 4-aminoindazole-1-carboxylate
4-AMINO-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1,1-Dimethylethyl 4-amino-1H-indazole-1-carboxylate
4-AMINO-1H-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
PB23857
4-Amino-1H-indazole, N1-BOC protected
Y5557

FAQ

What are the physical and chemical properties of Ethyl heptanoate (CAS: 8016-21-5)?

Ethyl heptanoate (CAS: 8016-21-5) is a colorless to light yellow liquid with a fruity odor. It has a molecular weight of 154.24 g/mol and a boiling point of 162-163°C. Ethyl heptanoate is soluble in ethanol, acetone, and diethyl ether, but is slightly soluble in water. It is moderately reactive and can undergo hydrolysis under basic conditions.

How is Ethyl heptanoate (CAS: 8016-21-5) typically synthesized?

Ethyl heptanoate (CAS: 8016-21-5) is typically synthesized via esterification of heptanoic acid with ethanol in the presence of a catalyst such as sulfuric acid or phosphoric acid. The reaction is conducted at elevated temperatures, and the catalyst is usually recovered and reused to improve yield and selectivity.

What industries use Ethyl heptanoate (CAS: 8016-21-5)?

Ethyl heptanoate (CAS: 8016-21-5) is widely used in the flavor and fragrance industry to impart fruity notes to food and beverages. It is also used in the cosmetic industry for perfumes and skin care products. Additionally, it has applications in the flavoring of tobacco products and as a sensor in gas chromatography for detecting organic compounds.

What precautions should be taken when handling Ethyl heptanoate (CAS: 8016-21-5)?

When handling Ethyl heptanoate (CAS: 8016-21-5), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from heat and ignition sources. In case of a spill, it should be contained and neutralized with an appropriate chemical before disposal. Safety data sheets (SDS) should be consulted for detailed handling and disposal information.