Cas no 597-49-9 (3-Ethyl-3-pentanol)

3-Ethyl-3-pentanol (CAS 597-49-9) is a tertiary alcohol with the molecular formula C?H??O. Its branched structure and sterically hindered hydroxyl group contribute to its unique reactivity, making it a valuable intermediate in organic synthesis. The compound exhibits low volatility and moderate solubility in common organic solvents, enhancing its utility in controlled reactions. Its tertiary alcohol functionality is particularly useful in the preparation of esters, ethers, and other derivatives, often employed in specialty chemical applications. The steric hindrance also imparts stability against oxidation, favoring selective transformations. 3-Ethyl-3-pentanol is commonly utilized in research and industrial settings for its predictable reactivity and compatibility with diverse synthetic pathways.
3-Ethyl-3-pentanol structure
3-Ethyl-3-pentanol structure
Product Name:3-Ethyl-3-pentanol
CAS No:597-49-9
MF:C7H16O
MW:116.201342582703
MDL:MFCD00004484
CID:82643
PubChem ID:11702
Update Time:2025-06-14

3-Ethyl-3-pentanol Chemical and Physical Properties

Names and Identifiers

    • 3-Ethylpentan-3-ol
    • 3-Ethyl-3-pentanol
    • Triethylcarbinol
    • tert-Heptanol
    • tert-Heptyl Alcohol
    • Triethylmethyl Alcohol
    • 3-aethyl-pentanol-(3)
    • triethylmethanol
    • 3-ethyl-pentan-3-ol
    • 3-Ethyl-3-hydroxypentane
    • NSC 25500
    • Triethyl carbinol
    • BRN 1731643
    • AI3-30048
    • 3-Ethyl-3-pentanol, 98%
    • AKOS009156639
    • Z449374516
    • AS-77603
    • 8P2O4Y3RTC
    • EN300-85565
    • 4-01-00-01750 (Beilstein Handbook Reference)
    • 3-Pentanol, 3-ethyl-
    • D90446
    • NSC-25500
    • 597-49-9
    • SB85064
    • NS00034231
    • EINECS 209-902-0
    • MFCD00004484
    • CS-0204667
    • E0157
    • Q4634141
    • starbld0000278
    • A832456
    • FT-0615654
    • 3-Aethyl-pentanol-(3) [German]
    • DTXSID9060497
    • Ethyl-3 pentanol-3
    • UNII-8P2O4Y3RTC
    • 1,1-Diethyl-1-propanol
    • SCHEMBL22032
    • NSC25500
    • DTXCID0042668
    • 3Ethylpentan3ol
    • 3Pentanol, 3ethyl
    • 3Aethylpentanol(3)
    • MDL: MFCD00004484
    • Inchi: 1S/C7H16O/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3
    • InChI Key: XKIRHOWVQWCYBT-UHFFFAOYSA-N
    • SMILES: OC(CC)(CC)CC
    • BRN: 1731643

Computed Properties

  • Exact Mass: 116.12000
  • Monoisotopic Mass: 116.120115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 47.1
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.1
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Color/Form: Colorless, transparent, viscous liquid with camphor smell
  • Density: 0.824?g/mL?at 25?°C(lit.)
  • Melting Point: 156 oC
  • Boiling Point: 143°C
  • Flash Point: Fahrenheit: 100.4 ° f
    Celsius: 38 ° c
  • Refractive Index: n20/D 1.430(lit.)
  • Solubility: Slightly soluble (6.3 g/l) (25 o C),
  • Water Partition Coefficient: Slightly soluble in water. Soluble in alcohol.
  • PSA: 20.23000
  • LogP: 1.94750
  • Solubility: Soluble in ethanol and ether, insoluble in water.
  • Vapor Pressure: 1.8±0.6 mmHg at 25°C

3-Ethyl-3-pentanol Security Information

  • Symbol: GHS02
  • Prompt:warning
  • Signal Word:Danger
  • Hazard Statement: H226
  • Warning Statement: P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
  • Hazardous Material transportation number:UN 1987 3/PG 3
  • WGK Germany:3
  • Hazard Category Code: 10-22-37/38-41
  • Safety Instruction: S16
  • RTECS:SA6780000
  • Hazardous Material Identification: Xn
  • HazardClass:3
  • PackingGroup:III
  • TSCA:Yes
  • Packing Group:III
  • Hazard Level:3
  • Safety Term:3
  • Packing Group:III
  • Risk Phrases:R10
  • Storage Condition:4° CStore…,-4℃Store…Better

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3-Ethyl-3-pentanol Suppliers

Amadis Chemical Company Limited
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(CAS:597-49-9)3-Ethyl-3-pentanol
Order Number:A1206225
Stock Status:in Stock
Quantity:100ml
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:57
Price ($):264.0

3-Ethyl-3-pentanol Related Literature

Additional information on 3-Ethyl-3-pentanol

Comprehensive Overview of 3-Ethyl-3-pentanol (CAS No. 597-49-9): Properties, Applications, and Industry Insights

3-Ethyl-3-pentanol (CAS No. 597-49-9), also known as 3-ethylpentan-3-ol, is a tertiary alcohol with a molecular formula of C7H16O. This compound is characterized by its unique branched-chain structure, which contributes to its distinct chemical and physical properties. With a growing interest in sustainable and high-performance chemicals, 3-Ethyl-3-pentanol has garnered attention in various industrial applications, including fragrances, solvents, and specialty chemical synthesis.

The physical properties of 3-Ethyl-3-pentanol include a boiling point of approximately 143–145°C and a density of around 0.82 g/cm3. Its solubility in water is limited, but it is miscible with most organic solvents, making it a versatile component in formulations. The compound's tertiary alcohol structure enhances its stability against oxidation, a feature highly valued in the production of long-lasting fragrances and plasticizers.

In the fragrance industry, 3-Ethyl-3-pentanol is prized for its mild, woody odor profile. It is often used as a synthetic intermediate to create more complex aroma chemicals. Recent trends in "clean beauty" and sustainable perfumery have led to increased research into its potential as a green alternative to traditional fragrance ingredients. This aligns with the rising demand for eco-friendly chemicals in consumer products.

From a synthetic chemistry perspective, 3-Ethyl-3-pentanol serves as a valuable building block for pharmaceutical intermediates and agrochemicals. Its tertiary carbon center makes it a strategic candidate for nucleophilic substitution reactions. Researchers are exploring its use in asymmetric catalysis, a hot topic in modern organic chemistry, particularly for the synthesis of chiral compounds.

The industrial production of 3-Ethyl-3-pentanol typically involves the Grignard reaction between ethyl magnesium bromide and diethyl ketone, followed by hydrolysis. Process optimization for higher yield and reduced waste remains an active area of development, especially with the chemical industry's push toward circular economy principles. Recent patents highlight innovations in catalytic systems that improve atom economy in its synthesis.

In material science, 3-Ethyl-3-pentanol has shown promise as a plasticizer modifier for certain polymer systems. Its branched structure can influence polymer chain mobility without significantly compromising mechanical properties. This application taps into the current focus on performance additives that enable lighter, more durable materials for automotive and packaging applications.

From a safety standpoint, 3-Ethyl-3-pentanol is generally considered to have low acute toxicity based on available data. However, proper handling procedures should always be followed, including the use of personal protective equipment when working with concentrated forms. The compound's environmental fate has become a subject of increased scrutiny, with biodegradation studies showing moderate persistence under aerobic conditions.

The market outlook for 3-Ethyl-3-pentanol appears positive, with steady growth projected in specialty chemical sectors. Emerging applications in electronic chemicals for semiconductor processing and energy storage materials are being investigated. As industries seek alternatives to conventional solvents with lower volatile organic compound (VOC) emissions, 3-Ethyl-3-pentanol's balanced properties position it as a candidate for reformulated products.

Analytical methods for 3-Ethyl-3-pentanol quantification typically employ gas chromatography (GC) with flame ionization detection or mass spectrometry (MS). Recent advancements in portable GC-MS systems have enabled faster quality control in manufacturing settings. Researchers are also developing sensor arrays that can detect this alcohol in complex mixtures, addressing needs in process monitoring and environmental analysis.

For researchers considering 3-Ethyl-3-pentanol in their work, several practical considerations should be noted. The compound's relatively low volatility requires careful attention to reaction temperature control in synthetic applications. Storage recommendations include keeping containers tightly sealed in cool, well-ventilated areas away from strong oxidizers. Material compatibility studies suggest good stability with common construction materials like stainless steel and PTFE.

The regulatory landscape surrounding 3-Ethyl-3-pentanol currently shows no significant restrictions in major markets, though this should be verified for specific applications and regions. As chemical regulations evolve globally, particularly concerning sustainability reporting and green chemistry metrics, manufacturers are advised to maintain up-to-date compliance documentation.

Future research directions for 3-Ethyl-3-pentanol may explore its potential in bio-based production routes using fermentation or enzymatic processes. The compound's structure makes it an interesting target for metabolic engineering in microbial systems. Additionally, its application in ionic liquid formulations as a hydrogen-bond donor is being examined for specialized separation processes.

In conclusion, 3-Ethyl-3-pentanol (CAS No. 597-49-9) represents a versatile chemical with growing relevance across multiple industries. Its unique structural features enable diverse applications while aligning with contemporary demands for sustainable chemistry solutions. As research continues to uncover new uses and improved synthetic methods, this compound is poised to maintain its importance in specialty chemical markets.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:597-49-9)3-Ethyl-3-pentanol
A1206225
Purity:99%
Quantity:100ml
Price ($):264.0
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