Cas no 122-73-6 (Benzene,[(3-methylbutoxy)methyl]-)

Benzene,[(3-methylbutoxy)methyl]- is an organic compound featuring a benzene ring substituted with a [(3-methylbutoxy)methyl] group. This structure imparts unique solubility and reactivity characteristics, making it valuable as an intermediate in organic synthesis and specialty chemical applications. Its ether linkage and branched alkyl chain enhance compatibility with nonpolar solvents, while the aromatic ring provides stability for further functionalization. The compound is particularly useful in the development of fragrances, agrochemicals, and pharmaceutical intermediates, where controlled reactivity and tailored hydrophobicity are required. Proper handling is essential due to its potential flammability and the need to avoid prolonged exposure.
Benzene,[(3-methylbutoxy)methyl]- structure
122-73-6 structure
Product Name:Benzene,[(3-methylbutoxy)methyl]-
CAS No:122-73-6
MF:C12H18O
MW:178.270723819733
MDL:MFCD00048371
CID:173818
PubChem ID:87571486
Update Time:2026-05-14

Benzene,[(3-methylbutoxy)methyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzene,[(3-methylbutoxy)methyl]-
    • Benzyl Isoamyl Ether
    • Isoamylbenzylether
    • 3-methylbutoxymethylbenzene
    • Benzyl Isopentyl Ether
    • GARDENIA ETHER
    • ISO-AMYL BENZYL ETHER
    • ether,benzylisopentyl
    • isoamoxymethylbenzene
    • Benzyl lsoamyl Ether
    • BENZYL-3-METHYL BUTYL ETHER
    • [(Isopentyloxy)methyl]benzene
    • Ether, benzyl isopentyl
    • MDL: MFCD00048371
    • Inchi: InChI=1S/C12H18O/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
    • InChI Key: RXXCIBALSKQCAE-UHFFFAOYSA-N
    • SMILES: CC(C)CCOCC1=CC=CC=C1

Computed Properties

  • Exact Mass: 178.13600
  • Monoisotopic Mass: 178.135765
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 114
  • 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: 3.3
  • Topological Polar Surface Area: 9.2

Experimental Properties

  • Color/Form: Colorless transparent liquid. It has strong fruity and honey sweet aroma, with a slight fragrance. After dilution, it has Gardenia like aroma. The coordination with linalyl ether and rose ether teichoic acid esters in Gardenia essential oil shows the characteristics of sweet flower aroma and sweet fruit aroma
  • Density: 0.91
  • Melting Point: 0.914 g/cm3
  • Boiling Point: 236°C(lit.)
  • Flash Point: 110°C(lit.)
  • Refractive Index: 1.4820-1.4840
  • PSA: 9.23000
  • LogP: 3.24930

Benzene,[(3-methylbutoxy)methyl]- Security Information

  • Prompt:warning
  • Hazard Statement: H316
  • Warning Statement: P332+P313
  • Hazard Category Code: 22
  • RTECS:KM9620000
  • Hazardous Material Identification: Xn
  • Storage Condition:Ventilation and low temperature drying,WithOxidizing agentSeparate storage

Benzene,[(3-methylbutoxy)methyl]- Customs Data

  • HS CODE:2909309090
  • Customs Data:

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Benzene,[(3-methylbutoxy)methyl]- Pricemore >>

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Benzene,[(3-methylbutoxy)methyl]- Related Literature

Additional information on Benzene,[(3-methylbutoxy)methyl]-

Latest Research on Benzene,[(3-methylbutoxy)methyl]- (CAS: 122-73-6) in Chemical Biology and Pharmaceutical Applications

Benzene,[(3-methylbutoxy)methyl]-, with the CAS registry number 122-73-6, is a chemical compound that has garnered attention in recent studies due to its potential applications in chemical biology and pharmaceutical research. This compound, characterized by its benzene ring substituted with a (3-methylbutoxy)methyl group, has been explored for its unique physicochemical properties and biological activities. The latest research highlights its role as an intermediate in organic synthesis and its emerging significance in drug discovery and development.

Recent studies have focused on the synthesis and characterization of Benzene,[(3-methylbutoxy)methyl]- to understand its reactivity and potential as a building block for more complex molecules. Advanced spectroscopic techniques, including NMR and mass spectrometry, have been employed to elucidate its structure and purity. These studies are critical for ensuring the compound's suitability in pharmaceutical applications, where consistency and purity are paramount.

In the context of drug discovery, Benzene,[(3-methylbutoxy)methyl]- has been investigated for its potential as a scaffold in the design of novel therapeutic agents. Computational modeling and in vitro assays have revealed its ability to interact with specific biological targets, suggesting its utility in developing inhibitors or modulators for various diseases. For instance, preliminary data indicate its affinity for certain enzyme active sites, which could be leveraged in the treatment of metabolic disorders.

Furthermore, the compound's stability and solubility profiles have been examined to assess its feasibility in formulation development. Researchers have explored its behavior in different solvent systems and under varying pH conditions, providing insights into its potential as a drug candidate or excipient. These findings are particularly relevant for oral and topical formulations, where physicochemical properties significantly influence bioavailability and efficacy.

Another area of interest is the environmental and toxicological impact of Benzene,[(3-methylbutoxy)methyl]-. Recent toxicology studies have aimed to evaluate its safety profile, including acute and chronic exposure effects. These investigations are essential for regulatory compliance and risk assessment, ensuring that the compound can be safely utilized in industrial and pharmaceutical settings. Early results suggest that while the compound exhibits low acute toxicity, further long-term studies are warranted to fully understand its environmental footprint.

In summary, the latest research on Benzene,[(3-methylbutoxy)methyl]- (CAS: 122-73-6) underscores its versatility and potential in chemical biology and pharmaceutical applications. From its role as a synthetic intermediate to its emerging therapeutic possibilities, this compound represents a promising area of study. Future research directions may include more extensive biological testing, optimization of synthetic routes, and exploration of its derivatives to unlock new pharmacological activities.

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