Cas no 585-81-9 (3-Hydroxy-5-methylbenzoic acid)
3-Hydroxy-5-methylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-Hydroxy-5-methylbenzoic acid
- 3-HYDROXY-5-METHYL-BENZOIC ACID
- 3,5-Cresotic Acid
- Benzoic acid,3-hydroxy-5-methyl-
- Benzoic acid, 3-hydroxy-5-methyl-
- 3-Hydroxy-5-methyl benzoic acid
- 3-methyl-5-oxidanyl-benzoic acid
- 3-hydroxy-5-methylbenzoicacid
- NSC28456
- PubChem18175
- 5-Hydroxy-m-toluic acid
- KSC494S9N
- 3-hydroxy-5-methylbenzoic aicd
- 3-methyl-5-hydroxy-benzoic acid
- CFXOUQXGRQXUSE-UHFFFAOYSA-N
- BDBM503918
- NSC 28456
- 3-HYDROXY-5-METHYL-BENZOICACID
- CL8088
- NSC-28456
- AKOS005259855
- Z1198232670
- SCHEMBL987044
- DTXSID00207219
- BDBM50391819
- 585-81-9
- CHEMBL2146905
- FT-0757074
- MFCD09833213
- A869405
- FS-2415
- W-203198
- SY012261
- AC-944
- EN300-84081
- CS-0030557
- AM84165
- AB52735
- AW5
- STL555376
- DB-072503
- BBL101580
-
- MDL: MFCD09833213
- Inchi: 1S/C8H8O3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,9H,1H3,(H,10,11)
- InChI Key: CFXOUQXGRQXUSE-UHFFFAOYSA-N
- SMILES: OC1C=C(C(=O)O)C=C(C)C=1
Computed Properties
- Exact Mass: 152.04700
- Monoisotopic Mass: 152.047
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 155
- 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: 57.5
- XLogP3: 1.5
Experimental Properties
- Color/Form: No data avaiable
- Density: 1.2143 (rough estimate)
- Melting Point: 210°C
- Boiling Point: 351℃ at 760 mmHg
- Flash Point: 180.3℃
- Refractive Index: 1.4945 (estimate)
- PSA: 57.53000
- LogP: 1.39880
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
3-Hydroxy-5-methylbenzoic acid Security Information
- Signal Word:warning
- Hazard Statement: H303+H313+H333
-
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: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-Hydroxy-5-methylbenzoic acid 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%
3-Hydroxy-5-methylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-KZ070-1g |
3-Hydroxy-5-methylbenzoic acid |
585-81-9 | 98% | 1g |
235.0CNY | 2021-08-05 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-KZ070-250mg |
3-Hydroxy-5-methylbenzoic acid |
585-81-9 | 98% | 250mg |
179CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-KZ070-100mg |
3-Hydroxy-5-methylbenzoic acid |
585-81-9 | 98% | 100mg |
80CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-KZ070-5g |
3-Hydroxy-5-methylbenzoic acid |
585-81-9 | 98% | 5g |
834.0CNY | 2021-08-05 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | H834160-5g |
3-HYDROXY-5-METHYL-BENZOIC ACID |
585-81-9 | 97% | 5g |
693.00 | 2021-05-17 | |
| Matrix Scientific | 201879-5g |
3-Hydroxy-5-methylbenzoic acid, 95% |
585-81-9 | 95% | 5g |
$205.00 | 2023-09-10 | |
| Matrix Scientific | 201879-25g |
3-Hydroxy-5-methylbenzoic acid, 95% |
585-81-9 | 95% | 25g |
$738.00 | 2023-09-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-KZ070-200mg |
3-Hydroxy-5-methylbenzoic acid |
585-81-9 | 98% | 200mg |
76.0CNY | 2021-08-05 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | H19600-1g |
3,5-Cresotic acid |
585-81-9 | 97% | 1g |
¥174.0 | 2023-09-07 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | H19600-250mg |
3,5-Cresotic acid |
585-81-9 | 97% | 250mg |
¥61.0 | 2023-09-07 |
3-Hydroxy-5-methylbenzoic acid Suppliers
3-Hydroxy-5-methylbenzoic acid Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
Additional information on 3-Hydroxy-5-methylbenzoic acid
Introduction to 3-Hydroxy-5-methylbenzoic acid (CAS No. 585-81-9)
3-Hydroxy-5-methylbenzoic acid, identified by the Chemical Abstracts Service Number (CAS No.) 585-81-9, is a significant organic compound with a broad spectrum of applications in pharmaceuticals, agrochemicals, and material science. This compound belongs to the class of benzoic acid derivatives, characterized by the presence of both hydroxyl and methyl substituents on its aromatic ring. The structural features of 3-Hydroxy-5-methylbenzoic acid contribute to its unique chemical properties, making it a valuable intermediate in synthetic chemistry and a potential candidate for various industrial and biological applications.
The molecular formula of 3-Hydroxy-5-methylbenzoic acid is C?H?O?, reflecting its composition of eight carbon atoms, eight hydrogen atoms, and three oxygen atoms. The hydroxyl group at the third position and the methyl group at the fifth position on the benzene ring introduce polarity and reactivity, enabling diverse chemical modifications. These functional groups make 3-Hydroxy-5-methylbenzoic acid a versatile building block for synthesizing more complex molecules, including pharmaceutical intermediates and specialty chemicals.
In recent years, 3-Hydroxy-5-methylbenzoic acid has garnered attention in the field of drug discovery due to its potential pharmacological properties. Studies have demonstrated that benzoic acid derivatives can exhibit various biological activities, including anti-inflammatory, antioxidant, and antimicrobial effects. The presence of both hydroxyl and methyl groups enhances the compound's ability to interact with biological targets, making it a promising candidate for further investigation.
One of the most compelling aspects of 3-Hydroxy-5-methylbenzoic acid is its role in synthesizing natural products and their analogs. For instance, researchers have explored its utility in creating derivatives that mimic the structures of known bioactive compounds. This approach has led to the development of novel molecules with enhanced therapeutic potential. The compound's structural flexibility allows chemists to modify its framework in numerous ways, enabling the design of customized derivatives tailored for specific applications.
Recent advancements in computational chemistry have further highlighted the significance of 3-Hydroxy-5-methylbenzoic acid. Molecular modeling studies have revealed that this compound can act as a scaffold for designing drugs with improved solubility and bioavailability. By optimizing its structure through computational methods, scientists can predict how modifications will affect its pharmacokinetic properties. This has opened up new avenues for developing more effective pharmaceuticals.
The agrochemical industry also benefits from the applications of 3-Hydroxy-5-methylbenzoic acid. Its derivatives have been investigated as potential intermediates for synthesizing plant growth regulators and pesticides. The compound's ability to influence plant metabolic pathways makes it a valuable asset in developing sustainable agricultural solutions. Additionally, its environmental compatibility ensures that it can be used without posing significant risks to ecosystems.
In material science, 3-Hydroxy-5-methylbenzoic acid has been explored for its potential use in creating advanced polymers and coatings. Its aromatic structure provides stability and durability, making it suitable for high-performance materials. Researchers have also investigated its role in developing conductive polymers, which could revolutionize electronics and energy storage technologies.
The synthesis of 3-Hydroxy-5-methylbenzoic acid typically involves well-established organic reactions such as esterification, hydrolysis, and oxidation. Advances in green chemistry have led to more sustainable synthetic routes, reducing waste and energy consumption. These environmentally friendly methods align with global efforts to promote sustainable industrial practices.
Future research directions for 3-Hydroxy-5-methylbenzoic acid include exploring its role in nanotechnology and biomedicine. Its unique chemical properties make it a candidate for developing novel drug delivery systems and diagnostic tools. For instance, nanoparticles functionalized with 3-Hydroxy-5-methylbenzoic acid could enhance targeted drug delivery, improving therapeutic outcomes.
The compound's potential in regenerative medicine is also an area of growing interest. Studies suggest that benzoic acid derivatives can stimulate cell proliferation and differentiation, making them useful in tissue engineering applications. By integrating 3-Hydroxy-5-methylbenzoic acid into biomaterials designed for tissue regeneration, researchers aim to develop innovative solutions for healing injuries and treating degenerative diseases.
In conclusion,3-Hydroxy-5-methylbenzoic acid (CAS No. 585-81-9) is a multifaceted compound with extensive applications across multiple industries. Its structural versatility and biological activity make it a valuable asset in pharmaceuticals、agrochemicals、and material science。 As research continues to uncover new uses for this compound,its importance is likely to grow,driving innovation across scientific disciplines。
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