Cas no 100-86-7 (2-Methyl-1-phenyl-2-propanol)

2-Methyl-1-phenyl-2-propanol is a tertiary alcohol with the molecular formula C??H??O, characterized by a phenyl group and a methyl-substituted hydroxyl-bearing carbon. This compound is notable for its stability due to the steric hindrance provided by the tertiary alcohol structure, which reduces reactivity toward nucleophilic substitution. It serves as a versatile intermediate in organic synthesis, particularly in the preparation of fragrances, pharmaceuticals, and specialty chemicals. Its hydrophobic phenyl group enhances solubility in organic solvents, facilitating reactions in nonpolar media. The compound’s structural features also make it useful for studying steric effects in reaction mechanisms. Proper handling is advised due to potential flammability and irritant properties.
2-Methyl-1-phenyl-2-propanol structure
2-Methyl-1-phenyl-2-propanol structure
Product Name:2-Methyl-1-phenyl-2-propanol
CAS No:100-86-7
MF:C10H14O
MW:150.217563152313
MDL:MFCD00004465
CID:35118
PubChem ID:24850290
Update Time:2025-10-31

2-Methyl-1-phenyl-2-propanol Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-1-phenyl-2-propanol
    • 2-Benzyl-2-propanol
    • alpha,alpha-Dimethyl-beta-phenylethyl alcohol
    • 1,1-Dimethyl-2-Phenylethanol
    • Benzyl dimethyl carbinol~1,1-Dimethyl-2-phenylethyl alcohol
    • 3-Nitro-4-Methylbenzamide
    • Dimethyl benzyl carbinol
    • 2-Methyl-1-phenylpropan-2-ol
    • Benzyldimethylcarbinol
    • α,α-Dimethylphenethyl Alcohol
    • 2-Hydroxy-2-methyl-1-phenyl propane
    • DMBC
    • surolene
    • FEMA 2393
    • Darocur 1173
    • PHENYL-TERT-BUTANOL
    • Dimethylbenzylmethanol
    • 2-methyl-1-phenylpropan
    • Benzyl dimethyl carbinol
    • Dimethylbenzylcarbinol
    • 1,1-Dimethylphenylethanol
    • Benzylpropyl alcohol
    • DMBC (VAN)
    • 2-Hydroxy-2-methyl-1-phenylpropane
    • alpha,alpha-Dimethylphenethyl alcohol
    • alpha,alpha-Dimethylphenethanol
    • beta-Phenyl-tert-butyl alcohol
    • alpha,alpha-Dimethylbenzeneethanol
    • FEMA No.
    • MDL: MFCD00004465
    • Inchi: 1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
    • InChI Key: RIWRBSMFKVOJMN-UHFFFAOYSA-N
    • SMILES: CC(CC1C=CC=CC=1)(O)C
    • BRN: 1855608

Computed Properties

  • Exact Mass: 150.10400
  • Monoisotopic Mass: 150.104465
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 112
  • 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: 2.2
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Color/Form: White crystals with low melting point can be colorless to yellowish liquid in supercooled state. It has floral aroma and sweet vanilla flavor.
  • Density: 0.974?g/mL?at 25?°C(lit.)
  • Melting Point: 23-25?°C (lit.)
  • Boiling Point: 94-96?°C/10?mmHg(lit.)
  • Flash Point: Fahrenheit: 177.8 ° f < br / > Celsius: 81 ° C < br / >
  • Refractive Index: n20/D 1.514(lit.)
  • Water Partition Coefficient: Slightly soluble in water.
  • PSA: 20.23000
  • LogP: 2.00000
  • FEMA: 2393
  • Solubility: Soluble in most non-volatile oils, mineral oils and propylene glycol, insoluble in glycerol and water.

2-Methyl-1-phenyl-2-propanol Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H302
  • Warning Statement: P264-P270-P301+P312+P330-P501
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:2
  • Hazard Category Code: 22
  • Safety Instruction: S23-S24/25
  • RTECS:SG8050000
  • Hazardous Material Identification: Xn
  • TSCA:Yes
  • Storage Condition:Keep away from high temperature, sparks, flames and fire sources. Keep container closed when not in use. Store in tightly closed containers. Store in a cool, dry, well ventilated area away from incompatible substances.
  • Risk Phrases:R22
  • Safety Term:S24/25

2-Methyl-1-phenyl-2-propanol Customs Data

  • HS CODE:29062900
  • 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-Methyl-1-phenyl-2-propanol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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2-Methyl-1-phenyl-2-propanol Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:100-86-7)二甲基芐基甲醇
Order Number:LE1674764;LE2978
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Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:32
Price ($):discuss personally
Suzhou Senfeida Chemical Co., Ltd
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(CAS:100-86-7)2-Methyl-1-phenyl-2-propanol
Order Number:1674764;sfd889
Stock Status:in Stock
Quantity:Company Customization/200kg
Purity:98%/99.9%
Pricing Information Last Updated:Monday, 14 April 2025 18:12
Price ($):discuss personally

2-Methyl-1-phenyl-2-propanol Related Literature

Additional information on 2-Methyl-1-phenyl-2-propanol

Chemical Profile of 2-Methyl-1-phenyl-2-propanol (CAS No. 100-86-7)

2-Methyl-1-phenyl-2-propanol (CAS No. 100-86-7) is a significant organic compound widely recognized for its applications in pharmaceutical synthesis, flavoring agents, and specialty chemical manufacturing. This compound, characterized by its molecular formula C10H14O, exhibits a unique structural framework that makes it a valuable intermediate in various chemical processes. The presence of both aromatic and aliphatic functional groups contributes to its diverse reactivity, enabling its utilization in multiple industrial and research domains.

The CAS No. 100-86-7 identifier is a standardized numerical code assigned to this compound, ensuring precise classification and differentiation within chemical databases and regulatory frameworks. This numbering system facilitates accurate documentation, inventory management, and cross-referencing in scientific literature, enhancing the efficiency of research and development activities.

In recent years, 2-Methyl-1-phenyl-2-propanol has garnered attention in the field of medicinal chemistry due to its potential as a precursor in the synthesis of bioactive molecules. Its structural motif, which includes a phenyl ring linked to a tertiary alcohol moiety, aligns well with the design principles of pharmacophores found in various therapeutic agents. Researchers have been exploring its role in developing novel compounds that target neurological disorders, cardiovascular diseases, and inflammatory conditions.

One of the most compelling aspects of 2-Methyl-1-phenyl-2-propanol is its versatility in chemical transformations. The tertiary alcohol group can undergo oxidation to form ketones or esters, while the phenyl ring offers opportunities for further functionalization via electrophilic or nucleophilic aromatic substitution reactions. These properties make it an indispensable building block for synthesizing complex molecules with tailored biological activities.

The pharmaceutical industry has leveraged these characteristics to explore 2-Methyl-1-phenyl-2-propanol as a scaffold for drug discovery programs. For instance, derivatives of this compound have been investigated for their potential anticonvulsant and anti-inflammatory effects. Preliminary studies suggest that modifications to the phenyl ring or the alcohol moiety can modulate the pharmacokinetic profile and binding affinity of the resulting molecules.

Beyond pharmaceutical applications, 2-Methyl-1-phenyl-2-propanol finds utility in the flavor and fragrance industry due to its aromatic profile. It contributes to the creation of complex scent compositions used in perfumes, colognes, and food additives. The compound's ability to impart a woody or floral note makes it a preferred choice for perfumers seeking to develop sophisticated olfactory experiences.

The synthesis of 2-Methyl-1-phenyl-2-propanol typically involves Friedel-Crafts alkylation followed by reduction or other catalytic processes that introduce the desired functional groups. Advances in catalytic systems have improved the efficiency and selectivity of these reactions, reducing byproduct formation and energy consumption. Such innovations align with global trends toward sustainable chemical manufacturing practices.

In academic research, 2-Methyl-1-phenyl-2-propanol has been employed as a model compound to study reaction mechanisms and develop new synthetic methodologies. Its well-documented reactivity allows chemists to test hypotheses about transition state stabilization and reaction pathways. These studies not only contribute to fundamental chemical knowledge but also inform the design of more efficient synthetic routes for other complex molecules.

The safety profile of CAS No. 100-86-7 is another critical consideration in its application across industries. While it is not classified as hazardous under standard conditions, proper handling protocols must be followed to prevent exposure risks. Storage recommendations include keeping the compound away from heat sources and incompatible materials to ensure stability and prevent degradation.

The regulatory landscape governing 2-Methyl-1-phenyl-2-propanol is shaped by agencies such as the Environmental Protection Agency (EPA) and the European Chemicals Agency (ECHA). Compliance with reporting requirements for production volumes and environmental impact assessments ensures responsible stewardship throughout its lifecycle from manufacture to end-use application.

Future research directions may explore greener synthetic routes for CAS No. 100-86-7, incorporating biocatalysis or photochemical methods that minimize environmental footprint while maintaining high yields. Additionally, computational modeling techniques could further optimize reaction conditions by predicting outcomes before experimental validation becomes necessary.

In conclusion, 2-Methyl -1 -phenyl - 2 -propanol (CAS No .100 -86 -7) remains an essential compound with broad utility across multiple sectors . Its unique structural features enable diverse applications ,from pharmaceutical developmentto flavor creation ,while ongoing research continuesto uncover new possibilities . As scientific understanding evolves ,this molecule will undoubtedly play an increasingly important rolein advancing both industrial processesand medical treatments .

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:100-86-7)二甲基芐基甲醇
LE1674764;LE2978
Purity:99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:100-86-7)2-Methyl-1-phenyl-2-propanol
1674764;sfd889
Purity:98%/99.9%
Quantity:Company Customization/200kg
Price ($):Inquiry/Inquiry
Email