4-(4-Methoxyphenyl)-2-butanone

Basic Information

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CAS Number

104-20-1

Molecular Formula

C11H14O2

Molecular Weight

178.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

10°C

Boiling Point

177°C/25mmHg

Water Solubility

Not miscible in water.

Refractive Index

n20/D 1.519(lit.)

SMILES

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COc1ccc(CCC(=O)C)cc1

InChI

InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3

InChIKey

PCBSXBYCASFXTM-UHFFFAOYSA-N

LogP

2.2168

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

158

Synonyms & References

English

4-(4-methoxyphenyl)butan-2-one
4-(4-Methoxyphenyl)-2-butanone
4-(4-Methoxyphenyl)-
BUTANONE, 4-(p-METHOXYPHENYL)-2-(AS)
4-Methoxybenzylacetone
Anisylacetone
4-(p-Methoxyphenyl)butan-2-one
Raspberry ketone methyl ether
ent20,279
FEMA 2672
ANISALACETONE
4-ANISYLACETONE
PARA ANISYL ACETONE
FRAMBINONMETHYLAETHER
p-Methoxybenzylacetone
4-(4-
ENT 20,279
ANISYLACETONE

MDL Number

MFCD00008791

Customs Code

2914509090

FAQ

What is 4-(4-Methoxyphenyl)-2-butanone (CAS: 104-20-1)?

4-(4-Methoxyphenyl)-2-butanone, also known as methyl 2-[(4-methoxyphenyl)methyl]propanoate, is an organic compound with the CAS number 104-20-1. It is a colorless or slightly yellow liquid with a pungent odor. Its chemical formula is C11H14O3.

What are the main uses of 4-(4-Methoxyphenyl)-2-butanone (CAS: 104-20-1)?

4-(4-Methoxyphenyl)-2-butanone is primarily used as a raw material in the pharmaceutical industry for the synthesis of various organic compounds. It is also utilized in the fragrance and flavor industry for its distinctive aroma. Additionally, it serves as a solvent in chemical reactions and as a reagent in organic synthesis.

Is 4-(4-Methoxyphenyl)-2-butanone (CAS: 104-20-1) safe?

4-(4-Methoxyphenyl)-2-butanone is generally considered safe for industrial use when handled appropriately. It is classified as moderately toxic. To minimize risks, proper ventilation should be ensured, and protective equipment such as gloves and safety glasses should be worn. It is important to follow safety standards and guidelines provided by regulatory bodies like the Occupational Safety and Health Administration (OSHA).

How should 4-(4-Methoxyphenyl)-2-butanone (CAS: 104-20-1) be stored?

4-(4-Methoxyphenyl)-2-butanone should be stored in tightly sealed containers in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it at a temperature below 25°C (77°F) to maintain stability. Avoid exposure to moisture and ensure that the storage area has good ventilation. Containers should be inspected regularly for any signs of deterioration or leakage.