Cas no 168899-58-9 (3-Acetoxy-2-methylbenzoic acid)
3-Acetoxy-2-methylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-Acetoxy-2-methylbenzoic acid
- AMBA
- 3-ACETOXY-O-TOLUIC ACID
- 2-METHYL-3-ACETOXYBENZOIC ACID
- 3-Acetoxy-2-methylbenzoic
- 3-Acetoxy-2-methylbenzoic acid (AMBA)
- 2-methyl-3-acetoxy benzoic acid(3-acetoxy -2-methylbenzoic acid)
- 3-(Acetyloxy)-2-methylbenzoic acid
- 3-ACETOXY 2-METHYL BENZOIC ACID
- Methylacetoxybenzoicacid
- 3-Acetoxy-2-methyl benzoic acid
- 3-Acetoxy-2-Methylbenzoic acid, 98%+
- Benzoic acid, 3-(acetyloxy)-2-methyl-
- 3-acetyloxy-2-methylbenzoic acid
- 3-Acetoxy-2-Methyl-Benzoic Acid
- KSC495O2N
- Jsp003420
- LHVJUPHCLWIPLZ-UHFFFAOYSA-N
- SBB063332
- 3-(Acetyloxy)-2-methyl-benzoic Acid
- LS1171
- AC-594
- 3-Acetoxy-2-methylbenzoic acid, 97%
- SCHEMBL6178884
- D88450
- EN300-7368674
- 168899-58-9
- CS-0128915
- AB07799
- InChI=1/C10H10O4/c1-6-8(10(12)13)4-3-5-9(6)14-7(2)11/h3-5H,1-2H3,(H,12,13
- AKOS015888713
- A811035
- FT-0614864
- DTXSID30396569
- FT-0614865
- AS-8194
- MFCD00957176
- 3-(Acetyloxy)-2-methyl-benzoic Acid;
- SY019732
- DB-022152
- A1558
-
- MDL: MFCD00957176
- Inchi: 1S/C10H10O4/c1-6-8(10(12)13)4-3-5-9(6)14-7(2)11/h3-5H,1-2H3,(H,12,13)
- InChI Key: LHVJUPHCLWIPLZ-UHFFFAOYSA-N
- SMILES: O(C(C)=O)C1=CC=CC(C(=O)O)=C1C
- BRN: 3271605
Computed Properties
- Exact Mass: 194.05800
- Monoisotopic Mass: 194.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 236
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.6
- Topological Polar Surface Area: 63.6
Experimental Properties
- Color/Form: White or light brown solid
- Density: 1.245
- Melting Point: 148.0 to 152.0 deg-C
- Boiling Point: 337.0±30.0 °C at 760 mmHg
- Flash Point: 134.1±18.1 °C
- Refractive Index: 1.545
- PSA: 63.60000
- LogP: 1.61850
- Solubility: Insoluble in water
3-Acetoxy-2-methylbenzoic acid 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: S26-S36
-
Hazardous Material Identification:
- Safety Term:S26;S36
- Risk Phrases:R36/37/38
- Storage Condition:Store at room temperature
3-Acetoxy-2-methylbenzoic acid Customs Data
- HS CODE:2918990090
- Customs Data:
China Customs Code:
2918990090Overview:
2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
3-Acetoxy-2-methylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A166960-1g |
3-Acetoxy-2-methylbenzoic Acid |
168899-58-9 | 1g |
$ 64.00 | 2023-09-09 | ||
| TRC | A166960-5 g |
3-Acetoxy-2-methylbenzoic Acid |
168899-58-9 | 5g |
$ 55.00 | 2022-01-13 | ||
| TRC | A166960-10 g |
3-Acetoxy-2-methylbenzoic Acid |
168899-58-9 | 10g |
$ 65.00 | 2022-01-13 | ||
| TRC | A166960-25 g |
3-Acetoxy-2-methylbenzoic Acid |
168899-58-9 | 25g |
$ 110.00 | 2022-01-13 | ||
| TRC | A166960-50 g |
3-Acetoxy-2-methylbenzoic Acid |
168899-58-9 | 50g |
$ 185.00 | 2022-01-13 | ||
| TRC | A166960-100 g |
3-Acetoxy-2-methylbenzoic Acid |
168899-58-9 | 100g |
$ 325.00 | 2022-01-13 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A1558-5g |
3-Acetoxy-2-methylbenzoic acid |
168899-58-9 | 98.0%(T) | 5g |
¥235.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A1558-25g |
3-Acetoxy-2-methylbenzoic acid |
168899-58-9 | 98.0%(T) | 25g |
¥1035.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A256A-5g |
3-Acetoxy-2-methylbenzoic acid |
168899-58-9 | 99% | 5g |
¥158.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A256A-25g |
3-Acetoxy-2-methylbenzoic acid |
168899-58-9 | 99% | 25g |
¥539.0 | 2022-05-30 |
3-Acetoxy-2-methylbenzoic acid Suppliers
3-Acetoxy-2-methylbenzoic acid Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
Additional information on 3-Acetoxy-2-methylbenzoic acid
Comprehensive Overview of 3-Acetoxy-2-methylbenzoic acid (CAS No. 168899-58-9): Properties, Applications, and Industry Insights
3-Acetoxy-2-methylbenzoic acid (CAS No. 168899-58-9) is a specialized organic compound widely recognized for its versatile applications in pharmaceuticals, agrochemicals, and fine chemical synthesis. This benzoic acid derivative features an acetoxy group at the 3-position and a methyl group at the 2-position, contributing to its unique reactivity and functional utility. Researchers and industry professionals frequently search for terms like "3-Acetoxy-2-methylbenzoic acid synthesis", "CAS 168899-58-9 uses", and "benzoic acid derivatives in drug development", reflecting its growing relevance in modern chemistry.
The compound's molecular structure (C10H10O4) enables it to serve as a key intermediate in the synthesis of more complex molecules. Recent studies highlight its role in developing non-steroidal anti-inflammatory drugs (NSAIDs) and flavoring agents, aligning with current trends in green chemistry and sustainable synthesis. With the rise of AI-driven molecular design, queries such as "predicting reactivity of 3-Acetoxy-2-methylbenzoic acid" have surged, underscoring its importance in computational chemistry workflows.
From a technical perspective, 3-Acetoxy-2-methylbenzoic acid exhibits a melting point range of 110–115°C and moderate solubility in polar organic solvents. These properties make it particularly valuable for controlled-release formulations and prodrug development, addressing contemporary needs in precision medicine. Industry reports indicate increased interest in high-purity CAS 168899-58-9 for GMP-compliant production, driven by stringent quality requirements in pharmaceutical applications.
Environmental considerations have also shaped recent research directions. The compound's biodegradation pathways and eco-friendly synthesis methods are now frequently explored topics, responding to regulatory pressures and the circular economy movement. Analytical techniques like HPLC-MS and NMR spectroscopy are commonly employed for quality control, with many users searching for "CAS 168899-58-9 analytical standards" and "spectral data for 3-Acetoxy-2-methylbenzoic acid".
Market intelligence reveals expanding applications in electronic materials and specialty polymers, where its aromatic structure contributes to thermal stability. This diversification explains the growing search volume for "3-Acetoxy-2-methylbenzoic acid in material science" and "CAS 168899-58-9 patent landscape". The compound's compatibility with microwave-assisted synthesis further enhances its appeal for high-throughput screening platforms.
Quality specifications typically require ≥98% purity, with particular attention to residual solvents and heavy metals. Regulatory documentation, including REACH compliance status and SDS for 3-Acetoxy-2-methylbenzoic acid, ranks among the most requested information by industrial purchasers. The development of continuous flow processes for its production has emerged as a significant innovation, reducing waste generation while improving yield.
In conclusion, 3-Acetoxy-2-methylbenzoic acid (CAS No. 168899-58-9) represents a multifaceted compound at the intersection of multiple scientific disciplines. Its evolving applications reflect broader industry shifts toward molecular complexity, process intensification, and sustainable chemistry—trends that will likely drive further research and commercialization efforts in the coming years.
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