2,2-Diethoxy-1-phenylethanone

Basic Information

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CAS Number

6175-45-7

Molecular Formula

C12H16O3

Molecular Weight

208.26 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

Boiling Point

134°C/10mmHg

Density

1.034 g/mL at 25 °C

Water Solubility

0.16 g/L (25 ºC)

Refractive Index

n20/D 1.499(lit.)

Vapor Pressure

0.01 mmHg ( 20 °C)

SMILES

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CCOC(C(=O)C1=CC=CC=C1)OCC

InChI

InChI=1S/C12H16O3/c1-3-14-12(15-4-2)11(13)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3

InChIKey

PIZHFBODNLEQBL-UHFFFAOYSA-N

LogP

2.2684000000000006

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

179

Safety Information

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Sensitiveness

Sensitive to air

Synonyms & References

English

D1640
NSC-66180
Benzoylformaldehyde Diethyl Acetal
ACETOPHENONE, 2,2-DIETHOXY-
64131-70-0
UNII-W4BCZ1MAK3
2,2-diethoxyacetophenon
EINECS 228-220-4
InChI=1/C12H16O3/c1-3-14-12(15-4-2)11(13)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3
GLYOXAL, PHENYL-, DIETHYL ACETAL
BRN 2100306
2,2-Diethoxy-1-phenylethanone
DTXSID1052294
CCRIS 5222
4-07-00-02130 (Beilstein Handbook Reference)
Glyoxal, 2-(diethyl acetal)
AS-14401
Ethanone,2-diethoxy-1-phenyl-
2',2'-Diethoxyacetophenone
2,2-diethoxy-acetophenone
PIZHFBODNLEQBL-UHFFFAOYSA-
CS-0204523
FT-0609220
MFCD00009659
W4BCZ1MAK3
H10672
Q26841267
A833405
W-105103
DTXCID1030866
Tox21_303796

MDL Number

MFCD00009659

Customs Code

2914509090

FAQ

What are the physical and chemical properties of 2,2-Diethoxy-1-phenylethanone (CAS: 6175-45-7)?

2,2-Diethoxy-1-phenylethanone (CAS: 6175-45-7) is a colorless to light yellow liquid with a sweet, aromatic odor. The molecular weight is approximately 240.34 g/mol. It has a high boiling point of around 151-153°C and a low solubility in water. The compound is moderately reactive, with good stability under normal conditions but can dehydrate under strong acid or heat conditions.

How is 2,2-Diethoxy-1-phenylethanone (CAS: 6175-45-7) typically synthesized?

2,2-Diethoxy-1-phenylethanone (CAS: 6175-45-7) is typically synthesized by the condensation of 1-phenylethanoic acid with diethyl oxalate in the presence of a catalytic amount of p-toluenesulfonic acid. The reaction is carried out in anhydrous conditions to ensure high selectivity and yield. The process involves mild heating and stirring to facilitate the reaction, leading to a product with a yield of about 80-90%.

What industries use 2,2-Diethoxy-1-phenylethanone (CAS: 6175-45-7)?

2,2-Diethoxy-1-phenylethanone (CAS: 6175-45-7) is widely used in the pharmaceutical, polymer, and sensor industries. It serves as a precursor in the synthesis of various organic compounds and is used as a building block in the development of new drugs. Additionally, it has applications in the production of resins and adhesives, as well as in the development of gas sensors due to its ability to react with certain gases.

What precautions should be taken when handling 2,2-Diethoxy-1-phenylethanone (CAS: 6175-45-7)?

When handling 2,2-Diethoxy-1-phenylethanone (CAS: 6175-45-7), it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Ensure the use of a fume hood to minimize inhalation risks. Store it in a cool, dry place away from direct sunlight and heat sources. In case of spill, neutralize the spill with an appropriate chemical neutralizer and dispose of it according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for specific safety information.