Cas no 172354-89-1 (n-Propyl 2-ethylhexanoate)

n-Propyl 2-ethylhexanoate is a branched-chain ester commonly used as a solvent or intermediate in chemical synthesis. Its key advantages include high solvency power, low volatility, and excellent compatibility with a range of resins, polymers, and coatings. The branched structure of the 2-ethylhexanoate moiety enhances thermal and oxidative stability, making it suitable for high-performance applications. Additionally, its favorable evaporation rate and low viscosity contribute to efficient formulation in industrial processes. The ester’s mild odor and low toxicity profile further support its use in coatings, adhesives, and specialty chemical manufacturing. Its balanced properties make it a versatile choice for technical applications requiring reliable performance.
n-Propyl 2-ethylhexanoate structure
n-Propyl 2-ethylhexanoate structure
Product Name:n-Propyl 2-ethylhexanoate
CAS No:172354-89-1
MF:C11H22O2
MW:186.291183948517
CID:92074
PubChem ID:222339
Update Time:2025-11-02

n-Propyl 2-ethylhexanoate Chemical and Physical Properties

Names and Identifiers

    • n-Propyl 2-ethylhexanoate
    • 2-Ethylhexanoic acid n-propyl ester
    • PROPYL-2-ETHYLHEXANOATE
    • 90411-66-8
    • NSC-8234
    • SCHEMBL333259
    • AKOS009158922
    • FT-0765151
    • E79386
    • NSC8234
    • 172354-89-1
    • IHIQOKFJGANDOX-UHFFFAOYSA-N
    • Propyl 2-ethylhexanoate
    • n-Propyl 2-ethylhexanoate, 97+%
    • MDL： MFCD00048820
    • Inchi： 1S/C11H22O2/c1-4-7-8-10(6-3)11(12)13-9-5-2/h10H,4-9H2,1-3H3
    • InChI Key： IHIQOKFJGANDOX-UHFFFAOYSA-N
    • SMILES： O(CCC)C(C(CC)CCCC)=O

Computed Properties

  • Exact Mass: 186.16200
  • Monoisotopic Mass: 186.16198
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 8
  • Complexity: 132
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3
  • XLogP3: 3.8

Experimental Properties

  • Density: 0.87
  • Boiling Point: 214.2°Cat760mmHg
  • Flash Point: 82.9°C
  • Refractive Index: 1.425
  • PSA: 26.30000
  • LogP: 3.15600

n-Propyl 2-ethylhexanoate Customs Data

  • HS CODE：2915900090
  • Customs Data：

    China Customs Code:

    2915900090

    Overview:

    2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

n-Propyl 2-ethylhexanoate Pricemore >>

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n-Propyl 2-ethylhexanoate Related Literature

Additional information on n-Propyl 2-ethylhexanoate

N-Propyl 2-Ethylhexanoate (CAS No. 172354-89-1): Properties, Applications, and Market Insights

N-Propyl 2-ethylhexanoate (CAS No. 172354-89-1) is a versatile ester compound widely used in industrial and specialty chemical applications. Known for its excellent solvent properties and mild odor, this chemical has gained significant attention in recent years due to its eco-friendly profile and compatibility with green chemistry initiatives.

The chemical structure of n-propyl 2-ethylhexanoate ester combines a propyl group with a branched 2-ethylhexanoate moiety, giving it unique physical and chemical characteristics. With a molecular formula of C11H22O2, this compound typically appears as a clear, colorless liquid with a faint, pleasant ester-like aroma.

One of the most searched questions about this compound is "What is n-propyl 2-ethylhexanoate used for?" The answer reveals its diverse applications across multiple industries. In the coatings sector, it serves as an effective solvent for resins and polymers, particularly in automotive and industrial paints where slow evaporation rates are desired. The growing demand for low-VOC (volatile organic compound) products has increased interest in esters like propyl 2-ethylhexanoate solvent as alternatives to traditional hydrocarbon solvents.

Recent market trends show rising interest in "bio-based n-propyl 2-ethylhexanoate" as manufacturers seek sustainable alternatives. The compound's biodegradability and lower environmental impact compared to many petroleum-derived solvents make it attractive for green formulations. This aligns with current industry focus on circular economy principles and reduced carbon footprint chemical production.

In the personal care industry, 2-ethylhexanoic acid propyl ester finds application as an emollient and carrier oil in cosmetic formulations. Its excellent spreading characteristics and skin feel have made it popular in premium skincare products. Formulators particularly value its stability and compatibility with various active ingredients, answering another frequently asked question: "Is n-propyl 2-ethylhexanoate safe for cosmetic use?"

The synthesis of n-propyl 2-ethylhexanoate typically involves esterification of 2-ethylhexanoic acid with n-propanol, a process that has seen recent optimization for improved yield and energy efficiency. Manufacturers are increasingly adopting catalytic methods that reduce byproduct formation, responding to industry demands for cleaner production processes.

From a regulatory perspective, CAS 172354-89-1 is generally recognized as safe for many applications when used according to guidelines. Its favorable toxicological profile has contributed to its adoption in food contact materials and pharmaceutical applications, though specific approvals vary by region and application.

The global market for n-propyl 2-ethylhexanoate chemical is projected to grow steadily, driven by expanding applications in emerging economies and increasing environmental regulations in developed markets. Asia-Pacific currently leads in both production and consumption, with China being a major manufacturing hub for this and similar ester compounds.

Technical specifications of propyl 2-ethylhexanoate typically include: boiling point range of 210-215°C, flash point around 85°C, and density of approximately 0.87 g/cm3 at 20°C. These properties make it suitable for high-temperature applications while maintaining good handling safety characteristics.

Innovative applications continue to emerge for this versatile ester. Recent research explores its potential as a component in energy storage systems and as a processing aid in polymer production. The compound's ability to plasticize certain materials without compromising mechanical properties has opened new possibilities in material science.

Storage and handling of n-propyl 2-ethylhexanoate require standard chemical safety precautions. While not classified as hazardous under normal conditions, proper ventilation and avoidance of high temperatures are recommended to maintain product quality and ensure workplace safety.

Quality control measures for CAS 172354-89-1 typically include gas chromatography analysis to verify purity and absence of significant impurities. Commercial grades usually offer purity levels from 98% to 99.5%, with higher purity versions available for specialty applications.

The future outlook for n-propyl 2-ethylhexanoate appears positive, with anticipated growth in both traditional and novel applications. As industries continue to seek alternatives to more problematic solvents and additives, esters like this one are well-positioned to meet evolving market needs while supporting sustainability goals.

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