Ethyl hydratropate

Basic Information

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CAS Number

2510-99-8

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 Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

122°C 20mm

Density

1.012 g/cm3

Flash Point

93.6ºC

Refractive Index

1.496

SMILES

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CCOC(=O)C(C)c1ccccc1

InChI

InChI=1S/C11H14O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3

InChIKey

UTUVIKZNQWNGIM-UHFFFAOYSA-N

LogP

2.3532

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

160

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Ethyl 2-phenylpropanoate
2-Phenylpropionic Acid Ethyl Ester
2-Phenylpropionic Ac
Benzeneacetic acid, alpha-methyl-, ethyl ester
ETHYL 2-PHENYLPROPIONATE
Hydratropic acid ethyl ester
NSC 254979

MDL Number

MFCD00795471

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Ethyl hydratropate (CAS: 2510-99-8)?

Ethyl hydratropate (CAS: 2510-99-8) is a colorless or slightly yellow liquid with a molecular weight of approximately 116.15 g/mol. It has a pKa of around 4.5 and is soluble in water and organic solvents. It is known for its reactivity in nucleophilic substitution reactions and is moderately stable under normal conditions.

How is Ethyl hydratropate (CAS: 2510-99-8) typically synthesized?

Ethyl hydratropate (CAS: 2510-99-8) is commonly synthesized by the nucleophilic substitution of troponium ions with ethoxide ion. The reaction is typically carried out in a solvent like ethanol or dimethylformamide at room temperature, with a yield of around 80-90%. The use of a base like potassium ethoxide is essential for high selectivity and yield.

What industries use Ethyl hydratropate (CAS: 2510-99-8)?

Ethyl hydratropate (CAS: 2510-99-8) is primarily used in the pharmaceutical industry for the synthesis of certain drugs, in polymer chemistry as a plasticizer, and in the production of sensors and semiconductors for its unique chemical properties and reactivity.

What precautions should be taken when handling Ethyl hydratropate (CAS: 2510-99-8)?

When handling Ethyl hydratropate (CAS: 2510-99-8), it is important to use appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. The substance should be stored in a cool, dry place away from heat sources and direct sunlight. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials and the incident should be reported according to the material safety data sheet (MSDS).