| CAS NO.2612-28-4 2-Propyl-1,3-propanediol | |
| Product Name | 2-Propyl-1,3-propanediol |
| Synonyms | 1,1-Bis(hydroxymethyl)butane; 2-Propylpropane-1,3-diol; 1,3-Propanediol, 2-propyl- |
| CAS NO. | 2612-28-4 |
| Appearance | Slightly yellow viscous liquid |
| Purity | 95% min |
| MF | C6H14O2 |
| MW | 118.17 |
| Storage | Preserve in a well-closed container and keep in cool, dry place, avoid light. |
| Package | In fluoride bottle/ Fluoride drums/iron drums/plastic drums/IBC Tank ,etc. |
| Shipment method | By Sea, Air, Courier door to door, etc. |
| Loading Port | China any port, Beijing, Shanghai, Hong Kong etc. |
| Application | 1. Specialty Polyester and Polyurethane Synthesis As a branched aliphatic diol with two primary hydroxyl groups, 2-propyl-1,3-propanediol serves as a versatile monomer in the synthesis of specialty polyesters and polyurethanes. The propyl substituent at the 2-position introduces controlled branching into the polymer backbone, which can improve flexibility, reduce crystallinity, and enhance hydrolytic stability of the resulting polymer materials.
2. Pharmaceutical Intermediate This compound is classified as a pharmaceutical intermediate for the synthesis of heterocyclic compounds including pyrimidine derivatives. The two primary hydroxyl groups provide reactive sites for esterification, etherification, or condensation reactions, making it a useful building block in multi-step synthetic routes for active pharmaceutical ingredients. 3. Surfactant and Emulsifier Manufacturing The molecular structure of 2-propyl-1,3-propanediol contains both hydrophilic hydroxyl groups and a hydrophobic propyl chain, giving it inherent amphiphilic character. This property makes it a suitable starting material for the production of nonionic surfactants and emulsifiers through esterification or ethoxylation reactions, where the balanced hydrophilic-lipophilic properties contribute to effective emulsion stabilization. 4. Coatings, Adhesives and Sealants In the coatings industry, this branched diol is used as a component in alkyd resin formulations and polyol blends for polyurethane coatings. The propyl group provides moderate hydrophobicity that enhances water resistance and flexibility of the cured film, while the primary hydroxyl groups ensure reliable crosslinking reactivity with isocyanate or acid functional components. 5. Personal Care and Cosmetic Applications As a diol with humectant properties, 2-propyl-1,3-propanediol has been investigated for use in personal care formulations. Its ability to retain moisture, combined with its mild character and favorable solubility profile, makes it a candidate ingredient in moisturizers, skin care products, and cleansing formulations where gentle performance is required. |
| Contact | Contact person: James Zhang
Email: james.zhang@dakenchem.com |
Frequently Asked Questions
Q1: What is CAS NO.2612-28-4 and what is its chemical structure?
CAS NO.2612-28-4, or 2-propyl-1,3-propanediol, is a branched aliphatic diol with molecular formula C6H14O2 and molecular weight 118.17 g/mol. The molecule consists of a propane-1,3-diol backbone with a n-propyl group attached at the 2-position. This gives it the structure HOCH2-CH(C3H7)-CH2OH, featuring two primary hydroxyl groups and a hydrophobic propyl chain.
Q2: What are the key physical properties?
The compound has a molecular weight of 118.17 g/mol and a boiling point of approximately 222°C. The predicted density is about 0.98 g/cm³ and the refractive index is approximately 1.448. It is a colorless to slightly yellow viscous liquid at room temperature, miscible with water and common organic solvents.
Q3: What role does the propyl group play in the molecule?
The n-propyl group at the 2-position introduces a hydrophobic branch that distinguishes this diol from simpler 1,3-diols like 1,3-propanediol. The propyl chain enhances the hydrophobic character of the molecule, improves compatibility with organic systems, and introduces controlled branching in polymer applications. This branching can reduce polymer crystallinity and improve flexibility compared to linear diol counterparts.
Q4: What are the main industrial applications?
The primary applications include: synthesis of specialty polyesters and polyurethanes where controlled branching is desired; use as a pharmaceutical intermediate for heterocyclic compound synthesis; production of nonionic surfactants and emulsifiers; formulation of alkyd resins and coatings; and potential use as a humectant in personal care products.
Q5: How is this compound synthesized?
2-Propyl-1,3-propanediol is typically synthesized through the hydroformylation of appropriate aldehyde precursors followed by hydrogenation, or through aldol condensation routes starting from suitable carbonyl compounds. The synthesis involves forming the carbon-carbon bond at the 2-position to introduce the propyl substituent, followed by reduction to obtain the diol functionality.
Application Cases
Application Case 1: Specialty Polyester Resin for Flexible Coatings
A specialty coatings manufacturer used 2-propyl-1,3-propanediol as a diol component in the synthesis of a branched polyester resin. By incorporating this propyl-substituted diol instead of linear diols such as 1,3-propanediol, the resulting polyester showed reduced crystallinity and improved flexibility in the cured coating film. The enhanced flexibility was attributed to the controlled branching introduced by the propyl group at the 2-position of the diol backbone.
Application Case 2: Pharmaceutical Intermediate for Heterocyclic Synthesis
A pharmaceutical research laboratory utilized 2-propyl-1,3-propanediol as a building block in the multi-step synthesis of a pyrimidine derivative. The two primary hydroxyl groups were selectively activated for condensation reactions with appropriate heterocyclic precursors. The compound’s well-defined structure and reliable reactivity made it suitable as a reproducible starting material for the target active pharmaceutical ingredient synthesis route.
Application Case 3: Nonionic Surfactant Production
A specialty surfactant producer incorporated 2-propyl-1,3-propanediol as a starting material for the synthesis of a series of nonionic emulsifiers. The inherent amphiphilic character of the diol, combining hydrophilic hydroxyl groups with a hydrophobic propyl chain, provided a good foundation for producing surfactants with balanced HLB values. The resulting emulsifiers demonstrated effective performance in stabilizing oil-in-water emulsion systems for industrial applications.
Application Case 4: Polyurethane Formulation for Elastic Coatings
A polyurethane coatings manufacturer used 2-propyl-1,3-propanediol as a chain extender in a two-component polyurethane system. The branched structure of this diol contributed to creating a polymer network with enhanced elastic recovery and improved adhesion to flexible substrates. Compared to formulations using only linear diols, the inclusion of this branched diol provided better low-temperature flexibility without sacrificing chemical resistance.
Application Case 5: Cosmetic Formulation as Humectant Agent
A cosmetic formulator evaluated 2-propyl-1,3-propanediol as a humectant ingredient in a moisturizing skin care cream. The diol demonstrated effective moisture retention properties while exhibiting mild and non-irritating characteristics suitable for sensitive skin formulations. Its favorable solubility in both water and oil phases facilitated incorporation into the emulsion-based cream formulation without requiring additional solubilizers.
