Cas no 118-93-4 (2'-Hydroxyacetophenone)
2'-Hydroxyacetophenone Chemical and Physical Properties
Names and Identifiers
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- 2'-Hydroxyacetophenone
- 1-(2-Hydroxyphenyl)ethanone
- 2-Acetylphenol
- 2-Hydroxyacetophenone
- o-Acetyl phenol
- 1-(2-hydroxyphenyl)-ethanon
- 1-(2-Hydroxyphenyl)ethanone (2-Hydroxyacetophenone)
- 2`-Hydroxyacetophenone
- 2’-Hydroxyacetophenone
- 2′-Hydroxyacetophenone
- o-Hydroxyacetophenone
- 1-(2-Hydroxyphenyl)ethanone
- 2-Acetophenol
- 2-Hydroxyacetylbenzene
- 2-Hydroxyphenyl methyl ketone
- 2-Hydroxy-phenyl Methyl ketone
- Acetophenone, 2'-hydroxy-
- Acetophenone, o-hydroxy-
- Methyl 2-hydroxyphenyl ketone
- NSC 16933
- o-Hydroxyphenyl methyl ketone
- USAF KE-20
- FEMA 3548
- AKOS 90575
- O-ACETOPHENOL
- BENZOYLCARNINOL
- usafke-20
- o-Acetylphenol
- AKOS BBS-00003239
- 1-(2-Hydroxyphenyl)ethanone (2-Hydroxyacetophenone)
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- MDL: MFCD00002219
- Inchi: 1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
- InChI Key: JECYUBVRTQDVAT-UHFFFAOYSA-N
- SMILES: CC(C1C(O)=CC=CC=1)=O
- BRN: 386123
Computed Properties
- Exact Mass: 136.05244
- Monoisotopic Mass: 136.05243
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 131
- 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
- Topological Polar Surface Area: 37.3
- Surface Charge: 0
- Tautomer Count: 9
- XLogP3: nothing
Experimental Properties
- Color/Form: Powder
- Density: 1.133?g/mL?at 20?°C
1.131?g/mL?at 25?°C(lit.) - Melting Point: 3-6?°C (lit.)
- Boiling Point: 213?°C/717?mmHg(lit.)
- Flash Point: Degrees Fahrenheit:222.8°F
Degrees Celsius:106°C - Refractive Index: n20/D 1.558(lit.)
- Solubility: 0.2g/l
- Water Partition Coefficient: Slightly soluble
- PSA: 37.3
- LogP: 1.59480
- Sensitiveness: Sensitive to light
- Solubility: Not determined
- Vapor Pressure: ~0.2 mmHg ( 20 °C)
- FEMA: 3548
- pka: 10.06(at 25℃)
2'-Hydroxyacetophenone Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315,H319,H335
- Warning Statement: P261,P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: 26-36
- FLUKA BRAND F CODES:8
- RTECS:AM8575000
-
Hazardous Material Identification:
- Risk Phrases:R36/38
- Safety Term:S26-S36-S37/39
- TSCA:Yes
- Explosive Limit:0.98-11.8%(V)
- Storage Condition:Pure form -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month
2'-Hydroxyacetophenone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | H18607-5G |
2'-Hydroxyacetophenone |
118-93-4 | 99% | 5g |
¥146.67 | 2023-11-05 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | H18607-100G |
2'-Hydroxyacetophenone |
118-93-4 | 99% | 100g |
¥283.91 | 2023-11-05 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | H18607-500G |
2'-Hydroxyacetophenone |
118-93-4 | 99% | 500g |
¥880.21 | 2023-11-05 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | W354805-SAMPLE |
2'-Hydroxyacetophenone |
118-93-4 | ≥98% | 587.6 | 2021-05-17 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | W354805-1KG |
2'-Hydroxyacetophenone |
118-93-4 | ≥98% | 1KG |
1529.2 | 2021-05-17 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 18245-1ML |
2'-Hydroxyacetophenone |
118-93-4 | analytical standard | 1ML |
860.35 | 2021-05-13 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | PHR1973-100MG |
2'-Hydroxyacetophenone |
118-93-4 | 100mg |
¥3982.72 | 2025-01-16 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | H810988-2.5kg |
2'-Hydroxyacetophenone |
118-93-4 | 99% | 2.5kg |
940.00 | 2021-05-17 | |
| TRC | H739970-5g |
2’-Hydroxyacetophenone |
118-93-4 | 5g |
$ 57.00 | 2023-09-07 | ||
| TRC | H739970-10g |
2’-Hydroxyacetophenone |
118-93-4 | 10g |
$ 75.00 | 2023-09-07 |
2'-Hydroxyacetophenone Suppliers
2'-Hydroxyacetophenone Related Literature
-
Shuai Xia,Si-Yu Xiao,Qing-Qing Hong,Jing-Rong Zou,Sen Yang,Mu-Xue Zhang,Hua Zuo RSC Adv. 2015 5 5244
-
Jiang-Sheng Li,Fei-Fei Cai,Zhi-Wei Li,Wei-Dong Liu,Jim Simpson,Yuan Xue,Huai-Lin Pang,Peng-Mian Huang,Zhong Cao,Dao-Lin Li RSC Adv. 2014 4 474
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K. Rajasekhar,Chaithra J. Achar,Thimmaiah Govindaraju Org. Biomol. Chem. 2017 15 1584
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Yuanzheng Lv,Abosede Adejoke Ogunlana,Hongli Li,Dafang Gao,Chenli Wang,Xiaoguang Bao Catal. Sci. Technol. 2018 8 3379
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5. Walnut (Juglans regia L.) shell pyroligneous acid: chemical constituents and functional applicationsAli Jahanban-Esfahlan,Ryszard Amarowicz RSC Adv. 2018 8 22376
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic oxygen compounds Organooxygen compounds Alkyl-phenylketones
- Solvents and Organic Chemicals Organic Compounds Aldehyde/Ketone
- Solvents and Organic Chemicals Organic Compounds Hydrocarbons
- Pharmaceutical and Biochemical Products Pharmaceutical Active Ingredients
Additional information on 2'-Hydroxyacetophenone
Professional Introduction to 2'-Hydroxyacetophenone (CAS No: 118-93-4)
2'-Hydroxyacetophenone, also known by its CAS number 118-93-4, is a versatile organic compound that has garnered significant attention in the field of chemical and pharmaceutical research. This compound, with its unique structural properties, serves as a crucial intermediate in the synthesis of various pharmacologically active molecules, fragrances, and specialty chemicals. Its molecular formula, C?H?O?, reflects its aromatic nature and the presence of both hydroxyl and carbonyl functional groups, which contribute to its reactivity and utility in synthetic chemistry.
The structure of 2'-Hydroxyacetophenone consists of a benzene ring substituted with an acetyl group at the 2-position and a hydroxyl group at the 4-position. This arrangement imparts distinct chemical characteristics, making it a valuable building block in organic synthesis. The compound is typically encountered as a white to off-white crystalline solid with a moderate solubility in polar organic solvents such as ethanol and acetone. Its physical properties, including melting point (approximately 47-48°C) and boiling point (around 230-235°C), further underscore its suitability for industrial applications.
In recent years, 2'-Hydroxyacetophenone has been extensively studied for its role in pharmaceutical development. One of the most notable applications is its use as a precursor in the synthesis of nonsteroidal anti-inflammatory drugs (NSAIDs). Researchers have demonstrated that modifications to the hydroxyl and carbonyl groups can lead to derivatives with enhanced pharmacological activity. For instance, studies have explored its incorporation into molecules designed to modulate cyclooxygenase (COX) enzymes, which are pivotal in the inflammatory response. These findings highlight the compound's potential in developing novel therapeutic agents.
Moreover, 2'-Hydroxyacetophenone has found utility in the field of medicinal chemistry as a scaffold for antiviral and anticancer agents. Its aromatic system provides a stable platform for further functionalization, allowing chemists to introduce various substituents that can interact with biological targets. Recent research has shown promising results in using 2'-Hydroxyacetophenone derivatives to inhibit viral proteases and kinases, which are essential for viral replication and survival. Such studies not only underscore the compound's versatility but also open new avenues for antiviral drug discovery.
The compound's significance extends beyond pharmaceuticals into the realm of flavor and fragrance chemistry. The characteristic aroma of 2'-Hydroxyacetophenone, often described as sweet and fruity, makes it a popular choice in perfumery and food flavoring. Its ability to blend well with other scent molecules allows for the creation of complex fragrance profiles used in fine perfumes and consumer products. Additionally, its role as a flavoring agent has been explored in food industry applications, where it contributes to desirable organoleptic properties in baked goods, beverages, and confections.
From an industrial perspective, 2'-Hydroxyacetophenone is synthesized through several well-established chemical pathways. One common method involves the oxidation of acetophenone using mild oxidizing agents such as selenium dioxide or pyridinium chlorochromate (PCC). Alternatively, it can be produced via the Henry reaction between acetophenone and formaldehyde under basic conditions. These synthetic routes highlight the compound's accessibility and scalability for large-scale production.
The environmental impact of 2'-Hydroxyacetophenone usage is another area of growing interest. While it is not classified as hazardous or toxic under standard conditions, proper handling and disposal practices are recommended to minimize environmental exposure. Studies have investigated its biodegradability and ecotoxicity profiles, providing insights into its environmental footprint. Efforts are ongoing to develop greener synthetic methods that reduce waste generation and energy consumption during production.
In conclusion, 2'-Hydroxyacetophenone (CAS No: 118-93-4) is a multifaceted compound with broad applications across pharmaceuticals, fragrances, and industrial chemistry. Its unique structural features enable diverse chemical modifications, making it indispensable in drug discovery and synthetic organic chemistry. As research continues to uncover new uses for this compound, its importance in advancing scientific knowledge and industrial innovation is undeniable.
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