Cas no 13351-61-6 (2,2-Dimethyl-3-phenylpropan-1-ol)

2,2-Dimethyl-3-phenylpropan-1-ol is a tertiary alcohol featuring a phenyl group and a dimethyl-substituted carbon adjacent to the hydroxyl-bearing carbon. This structure imparts steric hindrance, influencing its reactivity and stability in synthetic applications. The compound is useful as an intermediate in organic synthesis, particularly in the preparation of fragrances, pharmaceuticals, and specialty chemicals, where its hindered alcohol functionality can modify reaction pathways or serve as a protecting group. Its phenyl group enhances aromatic interactions, while the branched alkyl chain contributes to lipophilicity, making it valuable in formulations requiring controlled solubility or volatility. The product is typically handled under standard laboratory conditions, with stability under inert atmospheres.
2,2-Dimethyl-3-phenylpropan-1-ol structure
13351-61-6 structure
Product Name:2,2-Dimethyl-3-phenylpropan-1-ol
CAS No:13351-61-6
MF:C11H16O
MW:164.244143486023
MDL:MFCD00010811
CID:49185
PubChem ID:83367
Update Time:2025-11-02

2,2-Dimethyl-3-phenylpropan-1-ol Chemical and Physical Properties

Names and Identifiers

    • 2,2-Dimethyl-3-phenylpropan-1-ol
    • 2,2-DIMETHYL-3-PHENYL-1-PROPANOL
    • 2,2-DIMETHYL-1-PENTANOL
    • 2,2-dimethyl-3-phenyl propanol
    • 2,2-dimethyl-3-phenyl-propan-1-ol
    • 3-Oxy-2.2-dimethyl-1-phenyl-propan
    • Benzenepropanol,b,b-dimethyl
    • 1-Propanol,2,2-dimethyl-3-phenyl- (7CI,8CI)
    • 2,2-Dimethyl-3-phenylpropyl alcohol
    • Muguetalcohol
    • b,b-Dimethylbenzenepropanol
    • Ai3-28141
    • Muguetanol
    • MUGUETALKOHOL
    • Einecs 236-400-9
    • DIMETHYL PHENYLPROPANOL
    • a,a-DiMethyl benzenepropanol
    • α,α-Dimethyl-3-phenyl propanol
    • 2,2-Dimethyl-3-phenylpropanol
    • Muguet alcohol
    • MDL: MFCD00010811
    • Inchi: 1S/C11H16O/c1-11(2,9-12)8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
    • InChI Key: VNGAHMPMLRTSLF-UHFFFAOYSA-N
    • SMILES: C1(=CC=CC=C1)CC(C)(C)CO

Computed Properties

  • Exact Mass: 164.12000
  • Monoisotopic Mass: 164.12
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 123
  • 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: 2.7
  • Topological Polar Surface Area: 20.2A^2

Experimental Properties

  • Density: 0.9197 (rough estimate)
  • Melting Point: 34.5°C
  • Boiling Point: 251.73°C (rough estimate)
  • Flash Point: 257.2°Cat760mmHg
  • Refractive Index: 1.5000 (estimate)
  • PSA: 20.23000
  • LogP: 2.24760

2,2-Dimethyl-3-phenylpropan-1-ol 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%

2,2-Dimethyl-3-phenylpropan-1-ol Pricemore >>

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Additional information on 2,2-Dimethyl-3-phenylpropan-1-ol

Comprehensive Guide to 2,2-Dimethyl-3-phenylpropan-1-ol (CAS No. 13351-61-6): Properties, Applications, and Market Insights

2,2-Dimethyl-3-phenylpropan-1-ol (CAS No. 13351-61-6) is a versatile organic compound with a unique molecular structure that combines aromatic and aliphatic components. This tertiary alcohol features a phenyl group attached to a branched carbon chain, making it valuable for various industrial and research applications. Its IUPAC name reflects its structural characteristics: two methyl groups at the 2-position, a phenyl ring at the 3-position, and a hydroxyl group at the 1-position of the propane backbone.

The compound's molecular formula is C11H16O, with a molecular weight of 164.24 g/mol. 2,2-Dimethyl-3-phenylpropan-1-ol typically appears as a colorless to pale yellow liquid at room temperature, with moderate solubility in organic solvents and limited solubility in water. These physicochemical properties make it particularly useful in fragrance formulations and as an intermediate in organic synthesis.

One of the primary applications of CAS 13351-61-6 is in the flavor and fragrance industry, where it serves as a key ingredient in perfumes and cosmetic products. The compound contributes floral and slightly woody notes to fragrance compositions, making it popular in personal care products and household items. Recent trends in clean beauty formulations and sustainable fragrance development have increased interest in this compound as manufacturers seek alternatives to synthetic musks and other controversial ingredients.

In pharmaceutical research, 2,2-Dimethyl-3-phenylpropan-1-ol has shown potential as a building block for drug discovery. Its structural features make it a candidate for developing new central nervous system (CNS) active compounds, particularly in areas addressing neurological disorders. Researchers are exploring its derivatives for potential activity against conditions like Alzheimer's disease and Parkinson's disease, aligning with current neurodegenerative disease research trends.

The compound also finds use in specialty chemical synthesis, serving as an intermediate for various fine chemicals. Its reactivity allows for transformations into esters, ethers, and other derivatives, expanding its utility across different chemical sectors. With growing interest in green chemistry and sustainable manufacturing, there's increasing focus on developing more efficient synthesis routes for 13351-61-6 that minimize environmental impact.

Market analysis indicates steady demand for 2,2-Dimethyl-3-phenylpropan-1-ol, particularly in Asia-Pacific regions where fragrance and pharmaceutical industries are expanding rapidly. The global market is projected to grow at a compound annual growth rate (CAGR) of 3.5-4.5% over the next five years, driven by increasing consumer spending on personal care products and ongoing pharmaceutical research activities.

Quality control for CAS 13351-61-6 typically involves gas chromatography (GC) analysis to ensure purity, with most commercial grades available at 95-99% purity. Storage recommendations include keeping the compound in tightly sealed containers under inert atmosphere to prevent oxidation, at temperatures below 30°C. These handling and storage guidelines are crucial for maintaining the compound's stability and performance in end-use applications.

Recent advancements in catalytic synthesis methods have improved the production efficiency of 2,2-Dimethyl-3-phenylpropan-1-ol, reducing byproduct formation and energy consumption. These developments align with industry's shift toward process intensification and atom economy principles, making the compound more attractive for large-scale applications while addressing environmental concerns.

From a regulatory perspective, 13351-61-6 is generally regarded as safe when used in approved applications, though proper material safety data sheet (MSDS) guidelines should always be followed. The compound is not currently listed on major restricted substance inventories, but manufacturers should stay informed about evolving chemical regulations in their target markets.

Future research directions for 2,2-Dimethyl-3-phenylpropan-1-ol include exploring its potential in bio-based material development and as a precursor for advanced polymer additives. The compound's unique structure offers possibilities for creating new materials with specific optical or mechanical properties, particularly in high-performance applications.

For researchers and industry professionals seeking 2,2-Dimethyl-3-phenylpropan-1-ol suppliers, it's important to verify certificates of analysis and inquire about custom synthesis options. Many suppliers now offer small-scale research quantities alongside bulk orders, catering to both academic and industrial needs. The compound is available through major chemical distribution networks worldwide.

In conclusion, CAS 13351-61-6 represents an important specialty chemical with diverse applications across multiple industries. Its combination of fragrance properties and synthetic versatility ensures continued relevance in markets ranging from personal care to pharmaceutical development. As research into its potential expands and manufacturing processes become more sustainable, 2,2-Dimethyl-3-phenylpropan-1-ol is poised to maintain its position as a valuable chemical intermediate in the global marketplace.

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