Cas no 53631-77-9 (Isopropyl 3-hydroxybenzoate)

Isopropyl 3-hydroxybenzoate structure
Isopropyl 3-hydroxybenzoate structure
Product Name:Isopropyl 3-hydroxybenzoate
CAS No:53631-77-9
MF:C10H12O3
MW:180.200483322144
CID:1070757
PubChem ID:578447
Update Time:2025-04-23

Isopropyl 3-hydroxybenzoate Chemical and Physical Properties

Names and Identifiers

    • Isopropyl 3-hydroxybenzoate
    • Benzoic acid, 3-hydroxy-, 1-Methylethyl ester
    • Benzoic acid, 3-hydroxy-, isopropyl ester
    • Isopropyl3-hydroxybenzoate
    • 53631-77-9
    • STL067270
    • Isopropyl 3-hydroxybenzoate #
    • CS-0205362
    • SCHEMBL161684
    • BS-28880
    • AKOS000319540
    • DTXSID40342077
    • CCG-357171
    • propan-2-yl 3-hydroxybenzoate
    • VANDBVAFPVUVNX-UHFFFAOYSA-N
    • MDL: MFCD08712957
    • Inchi: 1S/C10H12O3/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7,11H,1-2H3
    • InChI Key: VANDBVAFPVUVNX-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=C(C=1)O)=O)C(C)C

Computed Properties

  • Exact Mass: 180.07866
  • Monoisotopic Mass: 180.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 177
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53

Isopropyl 3-hydroxybenzoate Pricemore >>

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Additional information on Isopropyl 3-hydroxybenzoate

Isopropyl 3-Hydroxybenzoate: A Comprehensive Overview

Isopropyl 3-hydroxybenzoate (CAS No. 53631-77-9) is a versatile organic compound that has garnered significant attention in various industries due to its unique chemical properties and wide-ranging applications. This compound, also known as isopropyl salicylate, is a derivative of salicylic acid, which is a naturally occurring phenolic compound. Its structure consists of a benzene ring with hydroxyl and ester groups, making it highly functional for different industrial and scientific purposes.

The synthesis of isopropyl 3-hydroxybenzoate involves the esterification of salicylic acid with isopropyl alcohol, a process that can be optimized using various catalysts and reaction conditions. Recent studies have focused on improving the yield and purity of this compound through green chemistry approaches, such as using enzymatic catalysis or microwave-assisted synthesis. These advancements not only enhance the efficiency of production but also align with the growing demand for sustainable chemical manufacturing practices.

One of the most notable applications of isopropyl 3-hydroxybenzoate is in the field of pharmaceuticals. It serves as an intermediate in the synthesis of various drugs, including anti-inflammatory agents and cardiovascular medications. For instance, its role in the production of aspirin derivatives has been extensively researched, highlighting its potential in drug delivery systems and targeted therapy development.

In addition to its pharmaceutical applications, isopropyl 3-hydroxybenzoate has found significant use in the cosmetic industry. Its ability to act as a skin conditioning agent and UV stabilizer makes it an ideal ingredient in skincare products, sunscreens, and personal care formulations. Recent studies have explored its compatibility with natural and organic ingredients, further expanding its appeal in eco-friendly cosmetic products.

The compound also plays a crucial role in the food industry, where it is used as a flavor enhancer and stabilizer. Its mild sweetness and ability to mask unpleasant tastes make it valuable in food additives and flavoring agents. Researchers have recently investigated its stability under different pH conditions and temperatures, ensuring its suitability for various food applications.

From an environmental perspective, isopropyl 3-hydroxybenzoate has been studied for its biodegradability and eco-toxicological effects. Recent research indicates that it exhibits low toxicity to aquatic organisms when used within recommended concentrations, making it a safer alternative to some traditional chemicals in industrial settings.

In conclusion, isopropyl 3-hydroxybenzoate (CAS No. 53631-77-9) is a multifaceted compound with diverse applications across industries. Its chemical versatility, combined with recent advancements in synthesis and application techniques, positions it as a valuable component in modern chemical innovation. As research continues to uncover new potentials for this compound, its role in sustainable chemistry and product development is expected to grow significantly.

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