Cas no 5379-16-8 (1-(3,5-Dimethylphenyl)ethanone)
1-(3,5-Dimethylphenyl)ethanone Chemical and Physical Properties
Names and Identifiers
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- 1-(3,5-Dimethylphenyl)ethanone
- 3',5'-Dimethylacetophenone
- 3,5-DIMETHYLACETOPHENONE
- Ethanone, 1-(3,5-dimethylphenyl)-
- 3′,5′-Dimethylacetophenone
- 1-(3,5-dimethylphenyl)ethan-1-one
- Ethanone, 1-(dimethylphenyl)-
- 1-(Dimethylphenyl)ethan-1-one
- PubChem24402
- KSC921I0R
- 3', 5'-dimethylacetophenone
- 3',5'-dimethyl acetophenone
- 1-acetyl-3,5-dimethylbenzene
- BKIHFZLJJUNKMZ-UHFFFAOYSA-N
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- MDL： MFCD01075693
- Inchi： 1S/C10H12O/c1-7-4-8(2)6-10(5-7)9(3)11/h4-6H,1-3H3
- InChI Key： BKIHFZLJJUNKMZ-UHFFFAOYSA-N
- SMILES： O=C(C([H])([H])[H])C1=C([H])C(C([H])([H])[H])=C([H])C(C([H])([H])[H])=C1[H]
- BRN： 2240987
Computed Properties
- Exact Mass: 148.08900
- Monoisotopic Mass: 487.146029
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 141
- 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: 2.4
- Topological Polar Surface Area: 17.1
Experimental Properties
- Color/Form: Not determined
- Density: 0.988
- Melting Point: 20°C
- Boiling Point: 237°C(lit.)
- Flash Point: 98-100°C/8mm
- Refractive Index: 1.5290
- PSA: 17.07000
- LogP: 2.50600
- λmax: 251(MeOH)(lit.)
- Solubility: Not determined
1-(3,5-Dimethylphenyl)ethanone Security Information
- Signal Word：Warning
- Hazard Statement： H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- Safety Instruction： S24/25
- Storage Condition：Sealed in dry,Room Temperature
- Safety Term：S24/25
1-(3,5-Dimethylphenyl)ethanone Customs Data
- HS CODE：2914399090
- Customs Data：
China Customs Code:
2914399090Overview:
2914399090. Other aromatic ketones without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acetone declared packaging
Summary:
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
1-(3,5-Dimethylphenyl)ethanone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D138959-5g |
1-(3,5-Dimethylphenyl)ethanone |
5379-16-8 | ≥97% | 5g |
￥73.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D138959-25g |
1-(3,5-Dimethylphenyl)ethanone |
5379-16-8 | ≥97% | 25g |
￥310.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D138959-1g |
1-(3,5-Dimethylphenyl)ethanone |
5379-16-8 | ≥97% | 1g |
￥33.90 | 2023-09-03 | |
| Alichem | A015000087-250mg |
3',5'-Dimethylacetophenone |
5379-16-8 | 97% | 250mg |
$480.00 | 2023-09-01 | |
| Alichem | A015000087-500mg |
3',5'-Dimethylacetophenone |
5379-16-8 | 97% | 500mg |
$798.70 | 2023-09-01 | |
| Alichem | A015000087-1g |
3',5'-Dimethylacetophenone |
5379-16-8 | 97% | 1g |
$1564.50 | 2023-09-01 | |
| Fluorochem | 037867-1g |
3,5-Dimethylacetophenone |
5379-16-8 | 98% | 1g |
￡10.00 | 2022-03-01 | |
| Fluorochem | 037867-5g |
3,5-Dimethylacetophenone |
5379-16-8 | 98% | 5g |
￡38.00 | 2022-03-01 | |
| Fluorochem | 037867-25g |
3,5-Dimethylacetophenone |
5379-16-8 | 98% | 25g |
￡135.00 | 2022-03-01 | |
| Chemenu | CM253503-25g |
1-(3,5-Dimethylphenyl)ethanone |
5379-16-8 | 95+% | 25g |
$133 | 2021-06-16 |
1-(3,5-Dimethylphenyl)ethanone Suppliers
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1-(3,5-Dimethylphenyl)ethanone Related Literature
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Laura Abad Galán,Alexandre N. Sobolev,Eli Zysman-Colman,Mark I. Ogden,Massimiliano Massi Dalton Trans. 2018 47 17469
Additional information on 1-(3,5-Dimethylphenyl)ethanone
Recent Advances in the Study of 1-(3,5-Dimethylphenyl)ethanone (CAS: 5379-16-8) in Chemical and Biomedical Research
1-(3,5-Dimethylphenyl)ethanone (CAS: 5379-16-8) is a chemical compound that has garnered significant attention in recent years due to its potential applications in pharmaceutical and biomedical research. This aromatic ketone, characterized by its dimethylphenyl substituents, has been explored for its role as an intermediate in organic synthesis and its biological activities. Recent studies have focused on its synthesis, structural modifications, and pharmacological properties, making it a compound of interest for drug discovery and development.
In the context of synthetic chemistry, 1-(3,5-Dimethylphenyl)ethanone serves as a versatile building block for the construction of more complex molecules. Researchers have developed novel synthetic routes to optimize its production, emphasizing green chemistry principles to reduce environmental impact. For instance, a 2023 study published in the Journal of Organic Chemistry demonstrated a catalytic method using palladium nanoparticles to achieve high yields of 1-(3,5-Dimethylphenyl)ethanone under mild conditions, highlighting advancements in sustainable synthesis.
From a pharmacological perspective, recent investigations have explored the bioactivity of 1-(3,5-Dimethylphenyl)ethanone and its derivatives. A 2024 study in Bioorganic & Medicinal Chemistry Letters reported that certain derivatives exhibit promising anti-inflammatory and antioxidant properties, potentially useful for treating chronic inflammatory diseases. Molecular docking studies suggested that these compounds interact with key inflammatory mediators, such as COX-2 enzymes, providing a mechanistic basis for their observed effects.
Furthermore, 1-(3,5-Dimethylphenyl)ethanone has been investigated for its role in material science. Its structural features make it a candidate for designing photoactive materials. A recent publication in ACS Applied Materials & Interfaces (2024) described its incorporation into organic semiconductors, where it contributed to enhanced charge transport properties. This application underscores the compound's versatility beyond traditional pharmaceutical uses.
Despite these advancements, challenges remain in fully elucidating the safety profile and pharmacokinetics of 1-(3,5-Dimethylphenyl)ethanone. Ongoing research aims to address these gaps, particularly through in vivo studies and toxicological assessments. Collaborative efforts between chemists, biologists, and material scientists are expected to further unlock the potential of this compound in diverse fields.
In conclusion, 1-(3,5-Dimethylphenyl)ethanone (CAS: 5379-16-8) represents a multifaceted compound with significant implications for chemical, pharmaceutical, and material sciences. Continued research into its synthesis, bioactivity, and applications will likely yield innovative solutions for current scientific and medical challenges.
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