Cas no 2722-36-3 (3-PHENYL-1-BUTANOL)

3-Phenyl-1-butanol (CAS 3360-41-6) is a chiral aromatic alcohol with the molecular formula C??H??O. It is commonly used as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, fragrances, and fine chemicals. The compound features a phenyl group attached to the third carbon of a butanol chain, offering versatility in reactions such as esterification, oxidation, or reduction. Its stable structure and moderate polarity make it suitable for applications requiring precise stereochemical control. 3-Phenyl-1-butanol is also valued for its role in asymmetric synthesis, where its enantiomers serve as building blocks for optically active compounds. Proper handling and storage are recommended to maintain its purity and reactivity.
3-PHENYL-1-BUTANOL structure
3-PHENYL-1-BUTANOL structure
Product Name:3-PHENYL-1-BUTANOL
CAS No:2722-36-3
MF:C10H14O
MW:150.217563152313
CID:94442
PubChem ID:24851295
Update Time:2025-10-28

3-PHENYL-1-BUTANOL Chemical and Physical Properties

Names and Identifiers

    • 3-PHENYL-1-BUTANOL
    • RARECHEM AL BD 0683
    • ()-3-phenyl-butan-1-ol
    • Benzenepropanol, gamma-methyl-
    • gamma-methyl-benzenepropano
    • 3-Phenylbutyl alcohol.
    • 2-phenylbutan-4-ol
    • 3-Methyl-3-phenylpropan-1-ol
    • 3-Methylhydrozimtalkohol
    • 3-phenyl butanol
    • 3-phenyl-butan-1-ol
    • MFCD00002932
    • J-016702
    • FT-0704546
    • (+)-3-phenyl-1-butanol
    • (+)-3-phenyl-l-butanol
    • 2722-36-3
    • DTXSID00949945
    • NS00048879
    • Benzenepropanol,g-methyl-
    • SCHEMBL81404
    • 3-Phenylbutan-1-ol
    • AI3-11558
    • 3-Phenyl-1-butanol, 99%
    • EINECS 220-335-8
    • AKOS009156890
    • 3-phenyl-butanol
    • Benzenepropanol, .gamma.-methyl-
    • G77239
    • AS-86557
    • MDL: MFCD00002932
    • Inchi: 1S/C10H14O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
    • InChI Key: SQGBBDFDRHDJCJ-UHFFFAOYSA-N
    • SMILES: OCCC(C)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 150.10400
  • Monoisotopic Mass: 150.104
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 95
  • 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
  • Surface Charge: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Color/Form: Colorless Transparent Liquid
  • Density: 0.972?g/mL?at 25?°C(lit.)
  • Boiling Point: 138-140?°C/33?mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:>235.4°F
    Degrees Celsius:>113°C
  • Refractive Index: n20/D 1.52(lit.)
  • PSA: 20.23000
  • LogP: 2.17250
  • Solubility: Insoluble in water

3-PHENYL-1-BUTANOL Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Safety Instruction: S24/25
  • Safety Term:S24/25

3-PHENYL-1-BUTANOL Customs Data

  • HS CODE:2906299090
  • Customs Data:

    China Customs Code:

    2906299090

    Overview:

    2906299090 Other aromatic alcohols. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2906299090 other aromatic alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

3-PHENYL-1-BUTANOL Pricemore >>

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3-PHENYL-1-BUTANOL Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Molybdenum carbide (Mo2C) Solvents: Ethanol ;  3 h, 280 °C
Reference
Supported β-Mo2C on Carbon Materials for Kraft Lignin Decomposition into Aromatic Monomers in Ethanol
Wu, Kejing; Wang, Junbo; Zhu, Yingming ; Wang, Xueting; Yang, Chunyan; et al, Industrial & Engineering Chemistry Research, 2019, 58(28), 12602-12610

Production Method 2

Reaction Conditions
1.1 Catalysts: Molybdenum carbide ,  Molybdenum dioxide Solvents: Ethanol ;  rt → 280 °C; 3 h, 280 °C
Reference
Synthesis-Controlled α- and β-Molybdenum Carbide for Base-Promoted Transfer Hydrogenation of Lignin to Aromatic Monomers in Ethanol
Wu, Kejing; Yang, Chunyan; Zhu, Yingming ; Wang, Junbo; Wang, Xueting; et al, Industrial & Engineering Chemistry Research, 2019, 58(44), 20270-20281

3-PHENYL-1-BUTANOL Raw materials

3-PHENYL-1-BUTANOL Preparation Products

3-PHENYL-1-BUTANOL Suppliers

Amadis Chemical Company Limited
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(CAS:2722-36-3)3-PHENYL-1-BUTANOL
Order Number:A1220747
Stock Status:in Stock
Quantity:1g/5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 20:55
Price ($):156/417

3-PHENYL-1-BUTANOL Related Literature

Additional information on 3-PHENYL-1-BUTANOL

Chemical Profile of 3-PHENYL-1-BUTANOL (CAS No. 2722-36-3)

3-PHENYL-1-BUTANOL, with the chemical formula C9H12O, is a significant organic compound widely recognized for its utility in pharmaceutical synthesis, flavor and fragrance production, and as an intermediate in various chemical processes. The compound’s molecular structure, featuring a phenyl group attached to a butyl chain, imparts unique chemical properties that make it valuable in multiple industrial applications. This introduction delves into the compound’s characteristics, synthesis methods, industrial applications, and recent advancements in its utilization within the pharmaceutical sector.

The CAS No. 2722-36-3 identifier is a standardized registration number assigned to this specific chemical entity, ensuring unambiguous identification in scientific literature and commercial transactions. The compound is classified as an alcohol derivative, exhibiting both alcoholic and aromatic characteristics due to the presence of the hydroxyl (-OH) group and the phenyl ring. These structural features contribute to its solubility in organic solvents and its reactivity in various chemical transformations.

Synthesis of 3-PHENYL-1-BUTANOL typically involves the reaction of phenylacetaldehyde with butanol or through catalytic hydrogenation of corresponding unsaturated precursors. Advanced synthetic methodologies have been developed to enhance yield and purity, including enzymatic catalysis and flow chemistry techniques. These innovations align with the growing demand for sustainable and efficient production processes in the chemical industry.

In the pharmaceutical domain, 3-PHENYL-1-BUTANOL serves as a crucial intermediate in the synthesis of active pharmaceutical ingredients (APIs). Its aromatic moiety allows for further functionalization, enabling the creation of complex molecular architectures essential for drug development. Recent studies have highlighted its role in producing novel therapeutic agents targeting neurological disorders, where the phenyl group enhances binding affinity to specific biological receptors.

One notable application of 3-PHENYL-1-BUTANOL is in the development of neurological therapeutics. Researchers have utilized derivatives of this compound to design molecules that modulate neurotransmitter activity. For instance, modifications to the butyl chain have led to compounds with improved blood-brain barrier penetration, a critical factor for effective central nervous system (CNS) drug delivery. These findings underscore the compound’s potential in addressing conditions such as epilepsy and Alzheimer’s disease.

The fragrance and flavor industry also leverages 3-PHENYL-1-BUTANOL due to its aromatic profile, which contributes to pleasant olfactory experiences. Its use in perfumes and food additives is governed by stringent safety guidelines to ensure consumer protection. The compound’s stability under various conditions makes it a preferred choice for formulating long-lasting scents and flavors.

From an environmental perspective, efforts are underway to optimize the production and disposal of 3-PHENYL-1-BUTANOL to minimize ecological impact. Green chemistry principles are being applied to develop biodegradable derivatives and eco-friendly synthesis routes. Such initiatives are vital for aligning industrial practices with global sustainability goals.

Future research directions for 3-PHENYL-1-BUTANOL include exploring its applications in material science, particularly as a precursor for high-performance polymers. The compound’s ability to form stable cross-linked networks suggests potential use in coatings and adhesives requiring enhanced durability and chemical resistance. Additionally, its role in nanotechnology is being investigated for developing novel drug delivery systems based on organic-inorganic hybrids.

In conclusion, 3-PHENYL-1-BUTANOL (CAS No. 2722-36-3) is a versatile compound with broad industrial relevance. Its unique structural properties enable diverse applications ranging from pharmaceuticals to fragrances and advanced materials. As scientific understanding advances, new opportunities for utilizing this compound are likely to emerge, reinforcing its importance in modern chemistry.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:2722-36-3)3-PHENYL-1-BUTANOL
A1220747
Purity:99%/99%
Quantity:1g/5g
Price ($):156/417
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