Cas no 103935-10-0 (Ethyl 2-acetylbenzoate)
Ethyl 2-acetylbenzoate Chemical and Physical Properties
Names and Identifiers
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- Ethyl 2-acetylbenzoate
- Benzoic acid,2-acetyl-, ethyl ester
- Ethyl 2-acetylbenzenecarboxylate
- 2-Acetyl-benzoesaeure-aethylester
- 2-acetyl-benzoic acid ethyl ester
- Acetophenon-carbonsaeure-(2)-aethylester
- ethyl o-acetylbenzoate
- ethylacetylbenzenecarboxylate
- o-Acetylbenzoesaeureaethylester
- Ethyl 2-Ethanoylbenzoate
- Ethyl 2-ethanoylbenzoate, 2'-(Ethoxycarbonyl)acetophenone
- CS-W022649
- MFCD00173696
- Benzoic acid,2-acetyl-,ethyl ester
- FT-0642548
- Benzoic acid, 2-acetyl-, ethyl ester
- J-520683
- SCHEMBL3945626
- AKOS005070770
- 6F-954
- ETHYL2-ACETYLBENZENECARBOXYLATE
- DTXSID00384094
- 103935-10-0
- DB-004559
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- MDL: MFCD00173696
- Inchi: 1S/C11H12O3/c1-3-14-11(13)10-7-5-4-6-9(10)8(2)12/h4-7H,3H2,1-2H3
- InChI Key: YCJSSCAQCRQQJT-UHFFFAOYSA-N
- SMILES: O(CC)C(C1C=CC=CC=1C(C)=O)=O
Computed Properties
- Exact Mass: 192.07900
- Monoisotopic Mass: 192.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 223
- 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
- XLogP3: 1.5
- Topological Polar Surface Area: 43.4A^2
Experimental Properties
- Color/Form: No data available
- Density: 1.1±0.1 g/cm3
- Melting Point: No data available
- Boiling Point: 97-99°C 0,3mm
- Flash Point: 130.9±23.2 °C
- Refractive Index: 1.512
- PSA: 43.37000
- LogP: 2.06590
Ethyl 2-acetylbenzoate Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
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Warning Statement:
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
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Hazardous Material Identification:
- HazardClass:IRRITANT
- Storage Condition:Room temperature storage
Ethyl 2-acetylbenzoate Customs Data
- HS CODE:2918300090
- Customs Data:
China Customs Code:
2918300090Overview:
2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%
Ethyl 2-acetylbenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 045005-1g |
Ethyl 2-acetylbenzenecarboxylate |
103935-10-0 | >95% | 1g |
1966CNY | 2021-05-07 | |
| Chemenu | CM247453-1g |
Ethyl 2-acetylbenzoate |
103935-10-0 | 95+% | 1g |
$122 | 2021-06-16 | |
| Chemenu | CM247453-5g |
Ethyl 2-acetylbenzoate |
103935-10-0 | 95+% | 5g |
$449 | 2021-06-16 | |
| Chemenu | CM247453-10g |
Ethyl 2-acetylbenzoate |
103935-10-0 | 95+% | 10g |
$628 | 2021-06-16 | |
| Fluorochem | 207895-250mg |
Ethyl 2-acetylbenzoate |
103935-10-0 | 97% | 250mg |
£47.00 | 2022-03-01 | |
| Fluorochem | 207895-1g |
Ethyl 2-acetylbenzoate |
103935-10-0 | 97% | 1g |
£141.00 | 2022-03-01 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 045005-1g |
Ethyl 2-acetylbenzenecarboxylate |
103935-10-0 | >95% | 1g |
1966.0CNY | 2021-07-05 | |
| Apollo Scientific | OR29770-250mg |
Ethyl 2-acetylbenzoate |
103935-10-0 | 250mg |
£60.00 | 2025-02-19 | ||
| Apollo Scientific | OR29770-1g |
Ethyl 2-acetylbenzoate |
103935-10-0 | 1g |
£155.00 | 2023-08-31 | ||
| TRC | E896425-50mg |
Ethyl 2-Acetylbenzoate |
103935-10-0 | 50mg |
$ 50.00 | 2022-06-05 |
Ethyl 2-acetylbenzoate Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
Additional information on Ethyl 2-acetylbenzoate
Ethyl 2-acetylbenzoate (CAS No. 103935-10-0): A Comprehensive Overview
Ethyl 2-acetylbenzoate, with the chemical formula C10H10O3 and the CAS number 103935-10-0, is a versatile organic compound that has garnered significant attention in the field of organic chemistry and pharmaceutical research. This ester, derived from benzoic acid and ethanol, exhibits a variety of applications ranging from flavoring agents to potential pharmaceutical intermediates. Its unique structural properties make it a valuable building block in synthetic chemistry, particularly in the development of more complex molecules.
The compound is characterized by a benzene ring substituted with an acetyl group at the second position and an ethoxy group at the one position. This structural arrangement imparts distinct chemical reactivity, making it a candidate for various chemical transformations. In recent years, the study of Ethyl 2-acetylbenzoate has been further propelled by its potential role in medicinal chemistry, where its derivatives have been explored for their pharmacological properties.
One of the most intriguing aspects of Ethyl 2-acetylbenzoate is its role as a precursor in the synthesis of more complex natural products and pharmaceuticals. Researchers have leveraged its reactivity to develop novel compounds with potential therapeutic applications. For instance, studies have shown that derivatives of Ethyl 2-acetylbenzoate can exhibit anti-inflammatory and analgesic properties, making them promising candidates for further development into new drugs.
The chemical synthesis of Ethyl 2-acetylbenzoate typically involves the esterification of benzoic acid with ethanol under acidic conditions. This reaction is well-documented and can be optimized for high yields and purity. The ease of synthesis makes it an attractive compound for both academic research and industrial applications. Additionally, advances in green chemistry have led to the development of more sustainable methods for producing Ethyl 2-acetylbenzoate, which aligns with global efforts to reduce environmental impact.
In recent years, there has been a growing interest in exploring the biological activity of Ethyl 2-acetylbenzoate and its derivatives. Computational studies have suggested that certain modifications to its structure could enhance its bioavailability and target specificity. These findings have opened up new avenues for drug discovery, particularly in the treatment of chronic inflammatory diseases and pain management.
The compound's stability under various conditions also makes it a valuable tool in chemical research. It remains stable under standard storage conditions, allowing for long-term investigations without degradation. This stability is crucial for experimental consistency and reproducibility in scientific studies.
Ethyl 2-acetylbenzoate has also found applications in the fragrance and flavor industry due to its pleasant aroma and taste profile. Its derivatives are used to create synthetic fragrances that mimic natural scents, contributing to the development of perfumes, soaps, and other consumer products. The compound's versatility underscores its importance across multiple industries.
The future prospects of Ethyl 2-acetylbenzoate are promising, with ongoing research aimed at uncovering new applications and improving synthetic methodologies. As our understanding of organic chemistry continues to evolve, it is likely that this compound will play an even greater role in both academic research and industrial processes.
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