4-Methoxyphenyl 4-propylbenzoate

Basic Information

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CAS Number

50649-61-1

Molecular Formula

C17H18O3

Molecular Weight

270.33 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

404.2±38.0°C at 760 mmHg

Solubility

Insuluble (1.5E-3 g/L) (25 ºC),

SMILES

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CCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H18O3/c1-3-4-13-5-7-14(8-6-13)17(18)20-16-11-9-15(19-2)10-12-16/h5-12H,3-4H2,1-2H3

InChIKey

BXCOVVDVVWZRDC-UHFFFAOYSA-N

LogP

3.866900000000003

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

287

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

4-METHOXYPHENYL 4-PROPYLBENZOATE
(4-methoxyphenyl) 4-propylbenzoate
4-PROPYL-BENZOIC ACID 4-METHOXY-PHENYL ESTER
DTXSID80597948
MFCD11053430
A918352
4-Methoxyphenyl 4-propylbenzoate
AC-9305
DS-13322
CS-0163228
AKOS025402458
4-METHOXYPHENYL4-PROPYLBENZOATE
50649-61-1

MDL Number

MFCD11053430

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 4-Methoxyphenyl 4-propylbenzoate (CAS: 50649-61-1)?

4-Methoxyphenyl 4-propylbenzoate (CAS: 50649-61-1) is a solid with a crystalline form. Its molecular weight is approximately 262.37 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and chloroform. Chemically, it is stable under normal conditions but can react with strong bases or acids. It has a pKa of about 4.5, indicating significant acidity.

How is 4-Methoxyphenyl 4-propylbenzoate (CAS: 50649-61-1) typically synthesized?

4-Methoxyphenyl 4-propylbenzoate (CAS: 50649-61-1) can be synthesized via an esterification reaction between 4-methoxybenzoic acid and 4-propylbenzyl alcohol. Typically, this is achieved using concentrated sulfuric acid as a catalyst. The reaction is carried out at room temperature and the yield is around 70-80%. Further purification can be done using recrystallization.

What industries use 4-Methoxyphenyl 4-propylbenzoate (CAS: 50649-61-1)?

4-Methoxyphenyl 4-propylbenzoate (CAS: 50649-61-1) is primarily used in the pharmaceutical industry as a precursor for the synthesis of certain drugs. It is also utilized in the polymer industry for the production of functional polymers and in the sensor industry for developing chemical sensors. Additionally, it can be applied in the semiconductor industry for specific applications.

What precautions should be taken when handling 4-Methoxyphenyl 4-propylbenzoate (CAS: 50649-61-1)?

When handling 4-Methoxyphenyl 4-propylbenzoate (CAS: 50649-61-1), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it should be cleaned up using appropriate procedures outlined in the Safety Data Sheet (SDS). Fume hoods should be used during handling to minimize inhalation risks. Always follow laboratory safety guidelines and consult the SDS for specific handling instructions.