Cas no 104175-24-8 (Ethyl 2,3-dimethylbenzoate)
Ethyl 2,3-dimethylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 2,3-dimethylbenzoate
- Benzoic acid
- 2,3-dimethyl-, ethyl ester
- 2,3-DIMETHYLBENZOIC ACID ETHYL ESTER
- RARECHEM AL BI 0481
- Benzoic acid, dimethyl-, ethyl ester
- Ethyl2,3-Dimethylbenzoate
- YPZCBIBAAUBMLB-UHFFFAOYSA-N
- 6675AJ
- TRA0075081
- SY004804
- Z53836949
- Ethyl 2 pound not3-Dimethylbenzoate
- 603-79-2, Et
- MFCD00017523
- AS-31647
- CS-0440153
- AKOS008947842
- 104175-24-8
- DB-013421
- SCHEMBL574192
-
- MDL: MFCD00017523
- Inchi: 1S/C11H14O2/c1-4-13-11(12)10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3
- InChI Key: YPZCBIBAAUBMLB-UHFFFAOYSA-N
- SMILES: O(CC)C(C1=CC=CC(C)=C1C)=O
Computed Properties
- Exact Mass: 178.09900
- Monoisotopic Mass: 178.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 177
- 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: 26.3
- XLogP3: 2.9
Experimental Properties
- Density: 1.010±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 252.5±9.0 oC (760 Torr),
- Flash Point: 111.1±4.9 oC,
- Refractive Index: 1.504
- Solubility: Very slightly soluble (0.32 g/l) (25 o C),
- PSA: 26.30000
- LogP: 2.48010
Ethyl 2,3-dimethylbenzoate Customs Data
- HS CODE:2916399090
- Customs Data:
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. 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, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Ethyl 2,3-dimethylbenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D850969-5g |
Ethyl 2,3-Dimethylbenzoate |
104175-24-8 | ≥97% | 5g |
492.00 | 2021-05-17 | |
| TRC | E937303-100mg |
Ethyl 2,3-Dimethylbenzoate |
104175-24-8 | 100mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E937303-500mg |
Ethyl 2,3-Dimethylbenzoate |
104175-24-8 | 500mg |
$ 65.00 | 2022-06-05 | ||
| TRC | E937303-1g |
Ethyl 2,3-Dimethylbenzoate |
104175-24-8 | 1g |
$ 80.00 | 2022-06-05 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | E36980-1g |
Ethyl 2,3-dimethylbenzoate |
104175-24-8 | ≥97% | 1g |
¥148.0 | 2023-09-08 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | E36980-5g |
Ethyl 2,3-dimethylbenzoate |
104175-24-8 | ≥97% | 5g |
¥398.0 | 2023-09-08 | |
| Apollo Scientific | OR952926-1g |
Ethyl 2,3-dimethylbenzoate |
104175-24-8 | 95% | 1g |
£70.00 | 2025-02-20 | |
| Apollo Scientific | OR952926-5g |
Ethyl 2,3-dimethylbenzoate |
104175-24-8 | 95% | 5g |
£130.00 | 2025-02-20 | |
| Apollo Scientific | OR952926-25g |
Ethyl 2,3-dimethylbenzoate |
104175-24-8 | 95% | 25g |
£470.00 | 2025-02-20 | |
| eNovation Chemicals LLC | D688043-10g |
Ethyl 2,3-Dimethylbenzoate |
104175-24-8 | >97% | 10g |
$100 | 2023-08-31 |
Ethyl 2,3-dimethylbenzoate Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
Additional information on Ethyl 2,3-dimethylbenzoate
Ethyl 2,3-dimethylbenzoate (CAS No. 104175-24-8): A Comprehensive Overview
Ethyl 2,3-dimethylbenzoate, identified by its CAS number 104175-24-8, is an organic compound that has garnered significant attention in the field of chemical and pharmaceutical research. This ester derivative of benzoic acid is characterized by its unique molecular structure, which consists of a benzene ring substituted with two methyl groups at the 2 and 3 positions, and an ethyl ester group at the carboxyl position. The compound's distinct chemical properties make it a valuable intermediate in various synthetic applications, particularly in the production of fragrances, flavors, and specialty chemicals.
The synthesis of Ethyl 2,3-dimethylbenzoate typically involves the esterification of 2,3-dimethylbenzoic acid with ethanol using an acid catalyst. This reaction is well-documented and follows established principles of organic chemistry. The choice of catalyst and reaction conditions can significantly influence the yield and purity of the product. Recent advancements in catalytic systems have led to more efficient and environmentally friendly synthetic routes, reducing the need for harsh reagents and minimizing waste generation.
One of the most compelling aspects of Ethyl 2,3-dimethylbenzoate is its utility in the fragrance industry. The compound possesses a fruity, sweet aroma that is highly desirable for perfumery applications. Its molecular structure allows it to interact with olfactory receptors in a way that produces a pleasant sensory experience. Researchers have been exploring ways to enhance the natural occurrence of this compound in plants or to develop synthetic methods that mimic its biosynthetic pathways. This has led to innovations in sustainable fragrance production, where Ethyl 2,3-dimethylbenzoate serves as a key building block.
Beyond its role in fragrances, Ethyl 2,3-dimethylbenzoate has shown potential in pharmaceutical applications. The benzoate moiety is known to exhibit mild analgesic and anti-inflammatory properties, making it a candidate for use in topical formulations or as an adjuvant in drug development. Recent studies have investigated its interaction with biological targets, providing insights into its potential therapeutic benefits. While further research is needed to fully elucidate its pharmacological profile, the compound's structural features offer promising avenues for drug design.
The chemical stability of Ethyl 2,3-dimethylbenzoate under various conditions is another area of interest. Its resistance to oxidation and hydrolysis makes it suitable for long-term storage and transport without significant degradation. This stability is particularly important in industrial settings where consistency in product quality is paramount. Analytical techniques such as gas chromatography-mass spectrometry (GC-MS) and nuclear magnetic resonance (NMR) spectroscopy are commonly employed to verify the purity and identity of samples containing this compound.
In conclusion, Ethyl 2,3-dimethylbenzoate (CAS No. 104175-24-8) is a versatile organic compound with a wide range of applications in both industrial and research settings. Its unique chemical properties make it indispensable in the fragrance industry, while its potential in pharmaceuticals remains an exciting area for future exploration. As synthetic methodologies continue to evolve, the production and utilization of this compound are expected to become even more efficient and sustainable.
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