Propargyl alcohol propoxylate
[CAS# 3973-17-9]

Identification

• Classification: Organic raw materials >> Ether compounds and their derivatives
• Name: Propargyl alcohol propoxylate
• Synonyms: 1-(2-Propynyloxy)-2-propanol; 1-Propynoxy-2-propanol; 4-Oxa-1-heptyn-6-ol; PAP
• Molecular Formula: C₆H₁₀O₂
• Molecular Weight: 114.14
• CAS Registry Number: 3973-17-9
• EC Number: 682-392-9
• SMILES: CC(CO)OCC#C

Properties

• Density: 1.0±0.1 g/cm³, Calc.^*, 0.9801 g/cm³
• Index of Refraction: 1.447, Calc.^*, 1.4439
• Boiling Point: 179.8±15.0 ºC (760 mmHg), Calc.^*
• Flash Point: 69.0±14.6 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS02;GHS07 Danger
• Hazard Statements: H225-H315-H319
• Precautionary Statements: P210-P233-P241-P264-P280-P312-P362-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Specific target organ toxicity - single exposure	STOT SE	3	H335
Acute toxicity	Acute Tox.	4	H332
Skin irritation	Skin Irrit.	2	H315
Eye irritation	Eye Irrit.	2A	H319
Acute toxicity	Acute Tox.	4	H302
Acute toxicity	Acute Tox.	4	H312

Discovory and Applicatios

Propargyl alcohol propoxylate is an alkoxy alcohol derived from propargyl alcohol through the propoxylation process. Its discovery can be traced back to the growing need for versatile chemical intermediates that can be used in various industrial applications, particularly in the fields of surfactants, coatings, and pharmaceuticals. The unique structure of propargyl alcohol propoxylate, featuring both propargyl and propoxy groups, imparts distinctive reactivity and solubility properties, making it a valuable compound in many chemical processes.

The synthesis of propargyl alcohol propoxylate typically involves the reaction of propargyl alcohol with propylene oxide in the presence of a catalyst. This process allows for the addition of propoxy groups to the alcohol, resulting in a compound that exhibits increased hydrophilicity while retaining the reactive alkyne functionality of the propargyl group. The resulting product is a colorless, viscous liquid that is soluble in water and various organic solvents.

One of the primary applications of propargyl alcohol propoxylate is in the formulation of surfactants. Its amphiphilic nature enables it to act effectively as a wetting and dispersing agent, making it ideal for use in cleaning products, emulsions, and paints. In personal care formulations, propargyl alcohol propoxylate can enhance the texture and stability of creams and lotions, providing improved skin feel and spreadability. This property is particularly valuable in the cosmetic industry, where product performance is crucial for consumer acceptance.

In addition to its role in surfactants, propargyl alcohol propoxylate is used as a chemical intermediate in the synthesis of pharmaceuticals and agrochemicals. The presence of the alkyne functionality allows for further functionalization through click chemistry and other reaction pathways, facilitating the development of complex molecular structures. This capability is particularly important in the pharmaceutical industry, where the synthesis of intricate drug molecules often requires versatile building blocks.

Another significant application of propargyl alcohol propoxylate is in the field of polymer chemistry. It can be employed as a monomer in the preparation of novel polymers with unique properties, such as improved mechanical strength and chemical resistance. The incorporation of propargyl alcohol propoxylate into polymer networks can lead to materials suitable for a variety of applications, including coatings, adhesives, and sealants. The alkyne functionality also enables the use of click chemistry for cross-linking and modifying polymer structures, enhancing the performance characteristics of the final products.

Overall, propargyl alcohol propoxylate serves as a key intermediate in the development of surfactants, pharmaceuticals, and polymers, illustrating its versatility and importance in modern chemical applications.