4-(Hexyloxy)benzoic acid

Basic Information

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CAS Number

1142-39-8

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 Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

103-106 ºC

Boiling Point

323.46°C (rough estimate)

Flash Point

127.4±13.9 °C

Refractive Index

1.4940 (estimate)

SMILES

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CCCCCCOC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H18O3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)

InChIKey

HBQUXMZZODHFMJ-UHFFFAOYSA-N

LogP

3.3439000000000014

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

195

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

Synonyms & References

English

EINECS 214-534-9
SR-01000357681-1
CS-0152137
NCGC00246149-01
4-n-Hexyloxybenzoic acid
4-hexyloxy benzoic acid
4-Hexyloxybenzoic acid
p-(Hexyloxy)benzoic acid
SY015651
MLS000776297
AS-30434
W-108604
4-hexoxybenzoic acid
NSC-28663
p-(n-Hexoxy)benzoic acid
SR-01000357681
NS00023709
p-Hexoylbenzoic acid
AE-641/02589025
UNII-P8J3U7WL78
DTXSID2061563
4-n-hexyloxy-benzoic acid
SCHEMBL503946
Z56862725
4-(Hexyloxy)benzoicacid
H0247
EN300-17038
AKOS000273662
CHEMBL1555953
NSC 28663
p-Hexyloxybenzoic acid

MDL Number

MFCD00013991

Customs Code

2918990090

FAQ

What are the physical and chemical properties of 4-(Hexyloxy)benzoic acid (CAS: 1142-39-8)?

4-(Hexyloxy)benzoic acid (CAS: 1142-39-8) is a white solid with a crystalline form. It has a molecular weight of approximately 220.19 g/mol. Soluble in ethanol and slightly soluble in water. It is relatively stable but can undergo hydrolysis in the presence of water and acid.

How is 4-(Hexyloxy)benzoic acid (CAS: 1142-39-8) typically synthesized?

4-(Hexyloxy)benzoic acid is typically synthesized via the esterification of hexanol with benzoic acid. Commonly, this is achieved under mild conditions using an acid catalyst such as sulfuric acid. The yield is usually good, with high selectivity towards the desired product.

What industries use 4-(Hexyloxy)benzoic acid (CAS: 1142-39-8)?

4-(Hexyloxy)benzoic acid (CAS: 1142-39-8) finds applications in the pharmaceutical industry, where it serves as a precursor for various medicinal compounds. It is also used in the polymer industry for modifying the properties of polymers. Additionally, it is utilized in sensor development and semiconductor manufacturing for specific chemical functionalities.

What precautions should be taken when handling 4-(Hexyloxy)benzoic acid (CAS: 1142-39-8)?

When handling 4-(Hexyloxy)benzoic acid (CAS: 1142-39-8), always wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Store in a cool, dry place away from direct sunlight. If a spill occurs, use appropriate spill control materials and dispose of waste in accordance with local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.