4-Pentylphenyl 4-(octyloxy)benzoate

Basic Information

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CAS Number

50649-56-4

Molecular Formula

C26H36O3

Molecular Weight

396.57 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

Melting Point

53-57 °C

SMILES

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CCCCCCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)CCCCC

InChI

InChI=1S/C26H36O3/c1-3-5-7-8-9-11-21-28-24-19-15-23(16-20-24)26(27)29-25-17-13-22(14-18-25)12-10-6-4-2/h13-20H,3-12,21H2,1-2H3

InChIKey

BDTRDPSFINNZRW-UHFFFAOYSA-N

LogP

7.377800000000008

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

406

Safety Information

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GHS Hazard Pictograms

H413

Hazard Statement

H413 May cause long lasting harmful effects to aquatic life
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

Benzoic acid,4-(octyloxy)-, 4-pentylphenyl ester
4-Pentylphenyl 4-octyloxybenzoate
(4-pentylphenyl) 4-octoxybenzoate

MDL Number

MFCD10565652

FAQ

What is 4-Pentylphenyl 4-(octyloxy)benzoate (CAS: 50649-56-4)?

4-Pentylphenyl 4-(octyloxy)benzoate is a chemical compound with the CAS number 50649-56-4. It is an ester derived from benzoic acid, 4-pentylphenol, and octanol. This compound is characterized by its unique physical and chemical properties, making it suitable for various applications.

What are the main uses of 4-Pentylphenyl 4-(octyloxy)benzoate (CAS: 50649-56-4)?

4-Pentylphenyl 4-(octyloxy)benzoate (CAS: 50649-56-4) is commonly used in the pharmaceutical industry as a fragrance ingredient, in the cosmetic sector for skin care products, and in the formulation of certain industrial adhesives and coatings. It is also used as a flavor enhancer in food products.

Is 4-Pentylphenyl 4-(octyloxy)benzoate (CAS: 50649-56-4) safe?

4-Pentylphenyl 4-(octyloxy)benzoate (CAS: 50649-56-4) is generally considered safe for the intended applications. However, it is important to follow safety guidelines and wear appropriate personal protective equipment, such as gloves and safety glasses, during handling. Ensure proper ventilation and avoid contact with skin and eyes.

How should 4-Pentylphenyl 4-(octyloxy)benzoate (CAS: 50649-56-4) be stored?

4-Pentylphenyl 4-(octyloxy)benzoate (CAS: 50649-56-4) should be stored in a cool, dry place away from direct sunlight and heat sources. Maintain a temperature range of 15-25°C and a relative humidity below 60%. Store in a tightly sealed container to prevent contamination and degradation. Avoid contact with incompatible materials such as strong acids or bases.