5-Butyl-4-methyldihydro-2(3H)-furanone

Basic Information

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CAS Number

39212-23-2

Molecular Formula

C9H16O2

Molecular Weight

156.23 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 Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

64°C/0.01mmHg

Flash Point

>110 ºC

Refractive Index

1.4454

Vapor Pressure

0.0±0.5 mmHg at 25°C

SMILES

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O=C1OC(CCCC)C(C)C1

InChI

InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3

InChIKey

WNVCMFHPRIBNCW-UHFFFAOYSA-N

LogP

2.1281999999999996

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

143

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

Whiskey lactone
(+/-)-5-Butyl-4-methyldihydro-2(3H)-furanone
beta-Methyl-gamma-octanolactone (mixture of isomers)
(±)-5-Butyl-4-methyldihydro-2(3H)-furanone
Methyl Octalactone
Whiskey lactone
WHISKY LACTONE
&beta
5-Butyl-4-methyldihydro-2(3H)-furanone
5-butyl-4-methyloxolan-2-one
WHISKEY LACTONE,3-Methyl-4-octanolide 5-Butyl-4-methyldihydro-2(3H)-furanone
5-Butyl-4-methyldihydro-2(3H)-furanone (mixture of isomers)

MDL Number

MFCD00209540

Customs Code

2932209090

FAQ

What is 5-Butyl-4-methyldihydro-2(3H)-furanone (CAS: 39212-23-2)?

5-Butyl-4-methyldihydro-2(3H)-furanone is a colorless to light yellow liquid with a furanone odor. It is often used as a fragrance ingredient in perfumes and is also employed as a flavor enhancer in the food industry. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

What are the main uses of 5-Butyl-4-methyldihydro-2(3H)-furanone (CAS: 39212-23-2)?

5-Butyl-4-methyldihydro-2(3H)-furanone is primarily used as a fragrance in perfumes and as a flavor enhancer in the food industry. It is also utilized in the pharmaceutical and research sectors for its olfactory properties.

Is 5-Butyl-4-methyldihydro-2(3H)-furanone (CAS: 39212-23-2) safe?

5-Butyl-4-methyldihydro-2(3H)-furanone is considered safe for use in food and cosmetics when used in accordance with regulatory guidelines. It is important to follow safety precautions, including handling in appropriate personal protective equipment and ensuring proper ventilation.

How should 5-Butyl-4-methyldihydro-2(3H)-furanone (CAS: 39212-23-2) be stored?

5-Butyl-4-methyldihydro-2(3H)-furanone should be stored in a cool, dry place away from direct sunlight and heat sources. The container should be tightly sealed to prevent evaporation and contamination, and it should be kept away from incompatible materials such as acids and oxidizing agents.