Pentyl hexanoate

Basic Information

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CAS Number

540-07-8

Molecular Formula

C11H22O2

Molecular Weight

186.29 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

-47°C

Boiling Point

226 °C

Refractive Index

n20/D 1.418-1.422<br />n20/D 1.42(lit.)

SMILES

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CCCCCC(=O)OCCCCC

InChI

InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3

InChIKey

WRFZKAGPPQGDDQ-UHFFFAOYSA-N

LogP

3.3001000000000023

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

121

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

amyl caproate
pentyl hexanoate
n-Caproic acid n-amyl ester
n-Amyl hexanoate
Amyl Hexanoate
1-pentylhexanoate
Amyl capronate
Amyl hexoate
Hexanoic Acid Amyl Ester
Hexanoic acid,pentyl ester
Hexansaeure-pentylester
n-Amyl caproate
n-Pentyl hexanoate,Amyl caproate,Hexanoic acid pentyl ester
n-pentyl n-hexanoate
Pentyl caproate
NSC 46119
NSC 53794
Hexanoic acid pentyl ester

MDL Number

MFCD00027281

Customs Code

2915900090

FAQ

What is Pentyl hexanoate (CAS: 540-07-8)?

Pentyl hexanoate (CAS: 540-07-8) is an ester with the molecular formula C11H22O2. It has a fruity, apple-like aroma and is widely used in the food and fragrance industries as a flavoring agent and fragrance component.

What are the main uses of Pentyl hexanoate (CAS: 540-07-8)?

Pentyl hexanoate (CAS: 540-07-8) is primarily used in the food industry as a flavoring agent, particularly in candies, syrups, and baked goods. It is also used in the fragrance industry to impart a fruity scent to soaps, perfumes, and other personal care products.

Is Pentyl hexanoate (CAS: 540-07-8) safe?

Pentyl hexanoate (CAS: 540-07-8) is considered safe for use in food and cosmetics when used as directed. It is classified as GRAS (Generally Recognized As Safe) by the FDA and is not considered a skin irritant or carcinogen. However, it should be handled with care to avoid inhalation or contact with the eyes and skin.

How should Pentyl hexanoate (CAS: 540-07-8) be stored?

Pentyl hexanoate (CAS: 540-07-8) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a sealed container to prevent evaporation and contamination. Store at temperatures below 25°C (77°F) to maintain its stability and quality.