Cas no 34068-01-4 (3-Benzyloxyacetophenone)

3-Benzyloxyacetophenone is a synthetic organic compound characterized by the presence of a benzyloxy group attached to an acetophenone core. This aromatic ketone is commonly utilized as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and fine chemicals. Its structural features, including the benzyl-protected phenolic hydroxyl group, make it a versatile building block for further functionalization. The compound exhibits stability under standard conditions and is compatible with a range of reaction conditions, facilitating its use in multi-step synthetic routes. Its well-defined reactivity profile and purity make it a reliable choice for research and industrial applications requiring precise molecular modifications.
3-Benzyloxyacetophenone structure
3-Benzyloxyacetophenone structure
Product Name:3-Benzyloxyacetophenone
CAS No:34068-01-4
MF:C15H14O2
MW:226.270464420319
MDL:MFCD00026221
CID:54182
PubChem ID:253660877
Update Time:2025-06-08

3-Benzyloxyacetophenone Chemical and Physical Properties

Names and Identifiers

    • 1-(3-(Benzyloxy)phenyl)ethanone
    • 3-Benzyloxyacetophenone
    • 3'-Benzyloxyacetophenone
    • 1-(3-Benzyloxyphenyl)ethanone
    • 1-(3-phenylmethoxyphenyl)ethanone
    • Ethanone, 1-[3-(phenylmethoxy)phenyl]-
    • 3′-Benzyloxyacetophenone
    • m-benzyloxyacetophenone
    • 3'-Benzyloxy acetophenone
    • 1-[3-(benzyloxy)phenyl]ethanone
    • 1-(3-(Phenylmethoxy)phenyl)ethan-1-one
    • 1-[3-(benzyloxy)phenyl]ethan-1-one
    • 1-[3-(phenylmethoxy)phenyl]ethan-1-one
    • Ethanone, 1-(3-(phenylmethoxy)phenyl)-
    • 1-acetyl-3-(phenylmethoxy)benzene
    • 3'-(Benzyloxy)acetophenone
    • NSC159118
    • 3'benzyloxyacetophen
    • AMY32513
    • Y10312
    • DTXSID40187667
    • FGQMEAWGAUALJQ-UHFFFAOYSA-N
    • 34068-01-4
    • 3 inverted exclamation mark -(Benzyloxy)acetophenone
    • InChI=1/C15H14O2/c1-12(16)14-8-5-9-15(10-14)17-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3
    • SCHEMBL68983
    • DS-1896
    • MFCD00026221
    • AKOS000201993
    • EINECS 251-816-0
    • 3-Benzyloxy acetophenone
    • 3'benzyloxyacetophenone
    • CS-W014208
    • B4705
    • CHEMBL3770608
    • SY028458
    • NS00029608
    • FGQMEAWGAUALJQ-UHFFFAOYSA-
    • NSC-159118
    • Z26030924
    • 3-(benzyloxy)acetophenone
    • FT-0639154
    • NSC 159118
    • EN300-37469
    • AI3-25499
    • DB-022287
    • MDL: MFCD00026221
    • Inchi: 1S/C15H14O2/c1-12(16)14-8-5-9-15(10-14)17-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3
    • InChI Key: FGQMEAWGAUALJQ-UHFFFAOYSA-N
    • SMILES: O(C1=CC=CC(C(C)=O)=C1)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 226.09900
  • Monoisotopic Mass: 226.099
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 243
  • 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: 2
  • XLogP3: 3.5
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Color/Form: Pure liquid
  • Density: 1.0891 (rough estimate)
  • Melting Point: No data available
  • Boiling Point: 154°C/0.3mmHg(lit.)
  • Flash Point: 155.9±14.5 °C
  • Refractive Index: 1.6530 (estimate)
  • Solubility: Soluble in Chloroform, Dichloromethane and Methanol
  • PSA: 26.30000
  • LogP: 3.46820
  • λmax: 305(MeOH)(lit.)
  • Solubility: Not determined

3-Benzyloxyacetophenone Customs Data

  • HS CODE:2914509090
  • Customs Data:

    China Customs Code:

    2914509090

    Overview:

    2914509090 Ketones containing other oxygen-containing groups. 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, Acetone declared packaging

    Summary:

    HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

3-Benzyloxyacetophenone Pricemore >>

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3-Benzyloxyacetophenone Related Literature

Additional information on 3-Benzyloxyacetophenone

Comprehensive Overview of 3-Benzyloxyacetophenone (CAS No. 34068-01-4): Properties, Applications, and Industry Insights

3-Benzyloxyacetophenone (CAS No. 34068-01-4) is an organic compound widely recognized for its versatile applications in pharmaceuticals, fragrances, and specialty chemical synthesis. This aromatic ketone, characterized by its benzyloxy and acetophenone functional groups, has garnered significant attention in research and industrial sectors due to its unique chemical properties and reactivity. Below, we delve into its molecular structure, synthesis methods, and emerging trends aligned with current market demands.

The molecular formula of 3-Benzyloxyacetophenone is C15H14O2, with a molecular weight of 226.27 g/mol. Its structure features a benzyl ether linkage at the meta-position of the acetophenone ring, which enhances its solubility in organic solvents like ethanol and dichloromethane. This property makes it a valuable intermediate in organic synthesis, particularly for constructing complex molecules such as flavonoids and chiral auxiliaries.

Recent advancements in green chemistry have spurred interest in eco-friendly synthesis routes for 3-Benzyloxyacetophenone. Researchers are exploring catalytic methods using biodegradable reagents or microwave-assisted reactions to reduce waste and energy consumption—a response to the growing demand for sustainable chemical processes. These innovations align with global initiatives like the UN Sustainable Development Goals (SDGs), particularly Goal 12 (Responsible Consumption and Production).

In the pharmaceutical industry, 3-Benzyloxyacetophenone serves as a precursor for drug discovery and medicinal chemistry. Its derivatives are investigated for potential bioactivities, including anti-inflammatory and antioxidant effects. A 2023 study highlighted its role in synthesizing tyrosinase inhibitors, which are relevant for treating hyperpigmentation disorders—a hot topic in cosmeceutical research.

The fragrance industry also leverages 3-Benzyloxyacetophenone due to its mild, sweet odor profile. It is incorporated into fine perfumery and flavor enhancers, often as a fixative agent to prolong scent longevity. With consumers increasingly favoring natural-inspired aromas, this compound’s synthetic flexibility allows perfumers to mimic rare botanical extracts sustainably.

From an SEO perspective, common user queries include "3-Benzyloxyacetophenone solubility," "CAS 34068-01-4 suppliers," and "benzyloxyacetophenone synthesis mechanism." Addressing these, we note that the compound’s solubility data is well-documented in Hansen solubility parameters databases, while its commercial availability spans global specialty chemical distributors. Analytical techniques like HPLC and GC-MS are recommended for purity verification.

Regulatory compliance is another critical focus. 3-Benzyloxyacetophenone is not classified under restricted lists like REACH Annex XVII or TSCA, but users should adhere to Good Laboratory Practices (GLP) when handling it. Safety Data Sheets (SDS) recommend using personal protective equipment (PPE) such as nitrile gloves and goggles to prevent irritation.

Future prospects for 3-Benzyloxyacetophenone include its integration into advanced material science, such as organic semiconductors or photoinitiators for UV-curable resins. As industries pivot toward bio-based alternatives, this compound’s adaptability positions it as a candidate for circular economy innovations.

In summary, 3-Benzyloxyacetophenone (CAS No. 34068-01-4) exemplifies the intersection of traditional chemistry and modern sustainability. Its multifaceted applications—from pharmaceutical intermediates to fragrance components—underscore its enduring relevance. By addressing user queries and aligning with trends like green synthesis and cosmeceuticals, this overview aims to bridge technical depth with accessible insights for researchers and industry stakeholders alike.

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