Cas no 55211-85-3 (ethyl 2-hydroxy-3-methylbenzoate)
ethyl 2-hydroxy-3-methylbenzoate Chemical and Physical Properties
Names and Identifiers
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- ethyl 2-hydroxy-3-methylbenzoate
- 2-Hydroxy-3-methyl-benzoesaeure-aethylester
- 2-hydroxy-3-methyl-benzoic acid ethyl ester
- 2-Oxy-3-methylbenzoesaeureethylester
- 4-Hydroxy-3-Methylbenzoic acid ethyl ester
- ethyl 3-methylsalicylate
- Ethyl 4-hydroxy-3-methylbenzoate
- o-Kresotinsaeure-aethylester
- RARECHEM AL BI 0711
- NSC97235
- Q63398128
- ETHYL 2-HYDROXY-3-METHYLBEZOATE
- 55211-85-3
- NSC-97235
- CS-0237230
- DTXSID30970540
- SCHEMBL1242911
- A830527
- Ethyl2-hydroxy-3-methylbenzoate
- EN300-180506
- AKOS008948331
-
- Inchi: 1S/C10H12O3/c1-3-13-10(12)8-6-4-5-7(2)9(8)11/h4-6,11H,3H2,1-2H3
- InChI Key: NSRLIMVWJNHWJW-UHFFFAOYSA-N
- SMILES: O(CC)C(C1C=CC=C(C)C=1O)=O
Computed Properties
- Exact Mass: 180.07900
- Monoisotopic Mass: 180.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 179
- 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: 3.6
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53000
- LogP: 1.87730
ethyl 2-hydroxy-3-methylbenzoate Customs Data
- HS CODE:2918290000
- Customs Data:
China Customs Code:
2918290000Overview:
2918290000 Other carboxylic acids and anhydrides containing phenolic groups but not other oxy groups\Acyl halide\Peroxides and peroxyacids and their derivatives.Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported foodSummary:
HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%
ethyl 2-hydroxy-3-methylbenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B440930-10mg |
ethyl 2-hydroxy-3-methylbenzoate |
55211-85-3 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B440930-50mg |
ethyl 2-hydroxy-3-methylbenzoate |
55211-85-3 | 50mg |
$ 210.00 | 2022-06-07 | ||
| TRC | B440930-100mg |
ethyl 2-hydroxy-3-methylbenzoate |
55211-85-3 | 100mg |
$ 295.00 | 2022-06-07 | ||
| Chemenu | CM368262-1g |
Ethyl 4-hydroxy-3-methylbenzoate |
55211-85-3 | 95%+ | 1g |
$948 | 2022-06-11 | |
| Enamine | EN300-180506-1g |
ethyl 2-hydroxy-3-methylbenzoate |
55211-85-3 | 95% | 1g |
$785.0 | 2023-09-19 | |
| Enamine | EN300-180506-5g |
ethyl 2-hydroxy-3-methylbenzoate |
55211-85-3 | 95% | 5g |
$2277.0 | 2023-09-19 | |
| Enamine | EN300-180506-10g |
ethyl 2-hydroxy-3-methylbenzoate |
55211-85-3 | 95% | 10g |
$3376.0 | 2023-09-19 | |
| Enamine | EN300-180506-0.05g |
ethyl 2-hydroxy-3-methylbenzoate |
55211-85-3 | 95% | 0.05g |
$182.0 | 2023-09-19 | |
| Enamine | EN300-180506-0.1g |
ethyl 2-hydroxy-3-methylbenzoate |
55211-85-3 | 95% | 0.1g |
$272.0 | 2023-09-19 | |
| Enamine | EN300-180506-0.25g |
ethyl 2-hydroxy-3-methylbenzoate |
55211-85-3 | 95% | 0.25g |
$389.0 | 2023-09-19 |
ethyl 2-hydroxy-3-methylbenzoate Suppliers
ethyl 2-hydroxy-3-methylbenzoate Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
Additional information on ethyl 2-hydroxy-3-methylbenzoate
Introduction to Ethyl 2-hydroxy-3-methylbenzoate (CAS No. 55211-85-3)
Ethyl 2-hydroxy-3-methylbenzoate, identified by its Chemical Abstracts Service (CAS) number 55211-85-3, is a compound of significant interest in the field of organic chemistry and pharmaceutical research. This ester derivative of hydroxybenzoic acid exhibits a unique structural framework that has garnered attention for its potential applications in various chemical and biological contexts.
The molecular structure of ethyl 2-hydroxy-3-methylbenzoate consists of a benzoate core substituted with a hydroxyl group at the 2-position and a methyl group at the 3-position. This arrangement imparts specific electronic and steric properties to the molecule, making it a versatile intermediate in synthetic chemistry. The presence of both hydroxyl and ester functional groups allows for further chemical modifications, enabling the synthesis of more complex derivatives with tailored properties.
In recent years, ethyl 2-hydroxy-3-methylbenzoate has been explored for its pharmacological potential. Studies have indicated that this compound may exhibit bioactive properties, particularly in the realm of anti-inflammatory and antioxidant applications. The hydroxyl group, in particular, is known to participate in hydrogen bonding interactions, which can influence the molecule's solubility and binding affinity to biological targets.
One of the most compelling aspects of ethyl 2-hydroxy-3-methylbenzoate is its role as a precursor in the synthesis of more complex natural products and pharmaceutical agents. Researchers have leveraged its structural features to develop novel compounds with enhanced therapeutic efficacy. For instance, derivatives of this molecule have been investigated for their potential in modulating enzyme activities associated with metabolic pathways relevant to neurological disorders.
The ester functionality in ethyl 2-hydroxy-3-methylbenzoate also makes it a valuable building block for designing molecules with improved pharmacokinetic profiles. Ester derivatives are often favored in drug development due to their stability and ease of metabolic clearance. This characteristic is particularly advantageous when developing treatments for chronic conditions where long-term bioavailability is critical.
Recent advancements in computational chemistry have further highlighted the significance of ethyl 2-hydroxy-3-methylbenzoate. Molecular modeling studies have revealed insights into its interactions with biological targets, providing a foundation for rational drug design. These simulations have helped researchers predict binding affinities and optimize molecular structures for improved therapeutic outcomes.
Moreover, the compound's role in material science cannot be overlooked. Ethyl 2-hydroxy-3-methylbenzoate has been utilized as an additive in polymer formulations to enhance thermal stability and mechanical strength. Its ability to integrate into various matrices without compromising material integrity makes it a promising candidate for industrial applications.
In conclusion, ethyl 2-hydroxy-3-methylbenzoate (CAS No. 55211-85-3) is a multifaceted compound with broad applications across chemistry, pharmaceuticals, and materials science. Its unique structural features and bioactive potential continue to drive innovation in research and development. As scientific understanding evolves, it is anticipated that new applications for this compound will emerge, further solidifying its importance in the chemical industry.
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