Hexyl salicylate

Basic Information

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CAS Number

6259-76-3

Molecular Formula

C13H18O3

Molecular Weight

222.28 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

290 °C

Density

1.04 g/mL at 25 °C

Refractive Index

n20/D 1.504-1.506<br />n20/D 1.505(lit.)

SMILES

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CCCCCCOC(=O)c1ccccc1O

InChI

InChI=1S/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3

InChIKey

DUKPKQFHJQGTGU-UHFFFAOYSA-N

LogP

3.129300000000002

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

203

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Hexyl 2-hydroxybenzoate
n-Hexyl salicylate
n-Hexyl 2-hydroxybenzoate
Hexyl salicylate

MDL Number

MFCD00036487

Customs Code

2918230000

FAQ

What are the physical and chemical properties of Hexyl salicylate (CAS: 6259-76-3)?

Hexyl salicylate (CAS: 6259-76-3) is a colorless to pale yellow liquid with a molecular weight of 198.23 g/mol. It has a pKa of 3.0 and is slightly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is less reactive, showing minimal reactivity with common reagents.

How is hexyl salicylate (CAS: 6259-76-3) typically synthesized?

Hexyl salicylate is typically synthesized through the esterification of salicylic acid with hexanol in the presence of a strong acid catalyst like sulfuric acid. The process involves refluxing the mixture and then neutralizing the acid with a base to precipitate the product. The yield is generally around 85-90%, with good selectivity towards the desired ester.

What industries use hexyl salicylate (CAS: 6259-76-3)?

Hexyl salicylate is widely used in the fragrance and flavor industry as a component of perfumes and colognes. It is also utilized in the pharmaceutical industry for its anti-inflammatory properties. Additionally, it finds applications in the polymer industry as a plasticizer and in the formulation of some pharmaceutical and cosmetic products.

What precautions should be taken when handling hexyl salicylate (CAS: 6259-76-3)?

When handling hexyl salicylate (CAS: 6259-76-3), it is important to use appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store it in a cool, dry place away from direct sunlight and heat sources. Use a fume hood when handling the compound to avoid inhaling vapors. In case of a spill, immediately clean up the area, ensuring proper disposal of waste. Refer to the Safety Data Sheet (SDS) for detailed handling and storage guidelines.