Cas no 1586-00-1 (2-Benzylbenzylalcohol)

2-Benzylbenzyl alcohol (CAS 622-08-2) is a bifunctional aromatic alcohol characterized by the presence of both a benzyl and a hydroxyl group attached to a benzene ring. This structure imparts reactivity typical of primary alcohols, making it a versatile intermediate in organic synthesis, particularly for the production of pharmaceuticals, fragrances, and specialty chemicals. Its dual functionality allows for selective transformations, such as esterification or etherification, while the aromatic backbone enhances stability. The compound exhibits moderate solubility in polar organic solvents, facilitating its use in homogeneous reaction systems. Proper handling is advised due to potential sensitivity to oxidation. Storage under inert conditions is recommended to maintain purity.
2-Benzylbenzylalcohol structure
2-Benzylbenzylalcohol structure
Product Name:2-Benzylbenzylalcohol
CAS No:1586-00-1
MF:C14H14O
MW:198.260364055634
CID:195796
PubChem ID:74109
Update Time:2025-10-28

2-Benzylbenzylalcohol Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol,2-(phenylmethyl)-
    • (2-benzylphenyl)methanol
    • 2-BENZYLBENZYLALCOHOL
    • [2-benzylphenyl]methan-1-ol
    • <2-(hydroxymethyl)phenyl>phenylmethane
    • 1-(hydroxymethyl)-2-(phenylmethyl)benzene
    • 2-(phenylmethyl)benzyl alcohol
    • BENZENEMETHANOL,2-(PHENYLMETHYL)
    • Benzyl alcohol,o-benzyl
    • BENZENEMETHANOL, 2-(PHENYLMETHYL)-
    • DTXSID40166472
    • BAA58600
    • O-HYDROXYMETHYLDIPHENYLMETHANE
    • (2-Benzylphenyl)methanol #
    • NSC405651
    • AKOS003624859
    • A1-32330
    • o-benzylbenzyl alcohol
    • Benzyl alcohol, o-benzyl-
    • NSC 405651
    • UNII-7GQA3H3HVM
    • 2-(PHENYLMETHYL)BENZENEMETHANOL
    • 1586-00-1
    • EINECS 216-442-4
    • 7GQA3H3HVM
    • FT-0651055
    • NS00025157
    • GTKWHQWJTVWORA-UHFFFAOYSA-
    • CS-0227222
    • A809945
    • SCHEMBL1773099
    • NSC-405651
    • BENZYL ALCOHOL IMPURITY I
    • InChI=1/C14H14O/c15-11-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2
    • [2-(phenylmethyl)phenyl]methanol
    • 2-Benzylbenzyl alcohol
    • 2-Benzylbenzylalcohol
    • MDL: MFCD00004627
    • Inchi: 1S/C14H14O/c15-11-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2
    • InChI Key: GTKWHQWJTVWORA-UHFFFAOYSA-N
    • SMILES: OCC1C=CC=CC=1CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 198.10400
  • Monoisotopic Mass: 198.104
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 172
  • 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: 3
  • Topological Polar Surface Area: 20.2A^2

Experimental Properties

  • Color/Form: White massive solid
  • Density: 1.0074 (rough estimate)
  • Melting Point: 37-41 °C
  • Boiling Point: 154 °C (1 mmHg)
  • Flash Point: 144.3°C
  • Refractive Index: 1.5961
  • PSA: 20.23000
  • LogP: 2.76970
  • Solubility: Not determined

2-Benzylbenzylalcohol Security Information

  • Safety Instruction: S24/25
  • Safety Term:S24/25

2-Benzylbenzylalcohol 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%

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2-Benzylbenzylalcohol Suppliers

Amadis Chemical Company Limited
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(CAS:1586-00-1)2-Benzylbenzylalcohol
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Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:06
Price ($):1357.0
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:1586-00-1)2-芐基苯甲醇
Order Number:LE26298140
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:55
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2-Benzylbenzylalcohol Related Literature

Additional information on 2-Benzylbenzylalcohol

Chemical Profile of 2-Benzylbenzylalcohol (CAS No: 1586-00-1)

2-Benzylbenzylalcohol, identified by the Chemical Abstracts Service Number (CAS No) 1586-00-1, is a significant organic compound with a broad spectrum of applications in the chemical and pharmaceutical industries. This compound, featuring a benzyl group attached to a benzyl alcohol backbone, exhibits unique structural and functional properties that make it valuable in synthetic chemistry, material science, and as an intermediate in drug development.

The molecular structure of 2-Benzylbenzylalcohol consists of two benzene rings linked by a hydroxymethyl-benzyl bridge. This configuration imparts flexibility and reactivity, enabling its use in various chemical transformations. The presence of hydroxyl and aromatic groups facilitates interactions with biological molecules, making it a compound of interest in medicinal chemistry.

In recent years, 2-Benzylbenzylalcohol has garnered attention in the field of pharmaceutical research due to its potential as a precursor or intermediate in the synthesis of active pharmaceutical ingredients (APIs). Its ability to undergo nucleophilic substitution reactions allows for the introduction of diverse functional groups, enhancing its utility in constructing complex molecular architectures. This property is particularly relevant in the development of novel therapeutic agents targeting various diseases.

One of the most compelling applications of 2-Benzylbenzylalcohol is its role in the synthesis of chiral compounds. The benzyl group can be selectively modified to introduce stereocenters, which are crucial for the biological activity of many drugs. Researchers have leveraged this capability to develop enantiomerically pure compounds with enhanced pharmacological properties. For instance, derivatives of 2-Benzylbenzylalcohol have been explored as intermediates in the production of nonsteroidal anti-inflammatory drugs (NSAIDs) and other therapeutic molecules.

Furthermore, advancements in green chemistry have highlighted the importance of sustainable synthetic routes for 2-Benzylbenzylalcohol. Modern methodologies focus on minimizing waste and improving yields through catalytic processes and solvent-free reactions. These innovations align with global efforts to reduce the environmental impact of chemical manufacturing while maintaining high standards of purity and efficiency.

The compound's versatility extends to material science applications as well. 2-Benzylbenzylalcohol can serve as a monomer or crosslinking agent in polymer synthesis, contributing to the development of novel materials with tailored properties. Its aromatic structure imparts thermal stability and mechanical strength, making it suitable for high-performance polymers used in coatings, adhesives, and composite materials.

In academic research, 2-Benzylbenzylalcohol has been utilized as a model substrate for studying organic reactions and mechanisms. Its reactivity under different conditions provides insights into reaction pathways and catalytic effects. Such studies contribute to the broader understanding of organic chemistry principles and inform the design of more efficient synthetic strategies.

The pharmaceutical industry continues to explore new derivatives of 2-Benzylbenzylalcohol for their potential therapeutic benefits. Recent studies have investigated its role in developing antimicrobial agents and anti-cancer drugs. The compound's ability to interact with biological targets at the molecular level makes it a promising candidate for drug discovery initiatives aimed at addressing unmet medical needs.

From an industrial perspective, the production of 2-Benzylbenzylalcohol has been optimized for scalability and cost-effectiveness. Manufacturers employ advanced purification techniques to ensure high product quality, meeting stringent regulatory requirements for pharmaceutical use. Continuous improvements in process engineering further enhance production efficiency while reducing energy consumption.

The future prospects for 2-Benzylbenzylalcohol are promising, with ongoing research uncovering new applications and refining existing ones. As computational chemistry tools become more sophisticated, virtual screening methods are being used to identify novel derivatives with enhanced properties. This interdisciplinary approach combines experimental data with theoretical modeling to accelerate the discovery process.

In conclusion,2-Benzylbenzylalcohol (CAS No: 1586-00-1) is a multifaceted compound with significant implications across multiple scientific domains. Its structural features enable diverse chemical modifications, making it indispensable in pharmaceutical synthesis, material science, and academic research. As innovation continues to drive advancements in these fields,2-Benzylbenzylalcohol will undoubtedly remain at the forefront of scientific exploration and industrial application.

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Amadis Chemical Company Limited
(CAS:1586-00-1)2-Benzylbenzylalcohol
A809945
Purity:99%
Quantity:1g
Price ($):1357.0
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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:1586-00-1)2-芐基苯甲醇
LE26298140
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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