Cas no 17283-16-8 (2-(3,4-Dimethylphenyl)acetic acid)
2-(3,4-Dimethylphenyl)acetic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(3,4-Dimethylphenyl)acetic acid
- (3,4-Dimethyl-phenyl)-acetic acid
- 3,4-dimethyl-Benzeneacetic acid
- 3,4-Dimethylphenylacetic Acid
- Benzeneacetic acid,3,4-dimethyl-
- (3,4-dimethylphenyl)acetic acid(SALTDATA: FREE)
- 2-(3,4-Dimethylphenyl)
- 3,4-Dimethylphenylaceticacid
- 3,4-dimethyphenylacetic acid
- (3,4-Dimethylphenyl)acetic acid
- Benzeneacetic acid, 3,4-dimethyl-
- 3,4-Dimethylbenzenacetic acid
- PubChem10440
- OTTPBKINJOYJGW-UHFFFAOYSA-N
- HMS1757O22
- (3,4-Dimethylphenyl)acetic acid #
- WT1661
- STK11745
- NSC165781
- A811454
- 17283-16-8
- 3 pound not4-Dimethylphenylacetic Acid
- Z56923286
- EN300-06309
- AS-18779
- AM62268
- J-010853
- MFCD02664684
- DTXSID40304433
- CS-0131097
- SY021853
- NSC-165781
- AKOS000295883
- BB 0248966
- SCHEMBL969589
- STK117450
- BBL020407
- (3,4-Dimethyl-phenyl)-acetic acid;
- DB-356631
- benzeneacetic acid, 3,4-dimethyl-;3,4-dimethylphenylacetic acid;
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- MDL: MFCD02664684
- Inchi: 1S/C10H12O2/c1-7-3-4-9(5-8(7)2)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
- InChI Key: OTTPBKINJOYJGW-UHFFFAOYSA-N
- SMILES: OC(CC1C=CC(C)=C(C)C=1)=O
Computed Properties
- Exact Mass: 164.08400
- Monoisotopic Mass: 164.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 165
- 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: 2.3
- Topological Polar Surface Area: 37.3
Experimental Properties
- Color/Form: No data available
- Density: 1.1±0.1 g/cm3
- Melting Point: 96-99°C
- Boiling Point: 297.3℃/760mmHg
- Flash Point: 194.4±13.9 °C
- Water Partition Coefficient: Slightly soluble in water.
- PSA: 37.30000
- LogP: 1.93050
2-(3,4-Dimethylphenyl)acetic acid Security Information
- Signal Word:Warning
- Hazard Statement: H315; H319; H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Safety Instruction: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Storage Condition:Store at room temperature
2-(3,4-Dimethylphenyl)acetic acid 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%
2-(3,4-Dimethylphenyl)acetic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | F-ZP684-1g |
2-(3,4-Dimethylphenyl)acetic acid |
17283-16-8 | 97% | 1g |
¥225.0 | 2022-02-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | F-ZP684-5g |
2-(3,4-Dimethylphenyl)acetic acid |
17283-16-8 | 97% | 5g |
¥603.0 | 2022-02-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | F-ZP684-200mg |
2-(3,4-Dimethylphenyl)acetic acid |
17283-16-8 | 97% | 200mg |
¥94.0 | 2022-02-28 | |
| Fluorochem | 209373-1g |
2-(3,4-Dimethylphenyl)acetic acid |
17283-16-8 | 95% | 1g |
£28.00 | 2022-03-01 | |
| Fluorochem | 209373-5g |
2-(3,4-Dimethylphenyl)acetic acid |
17283-16-8 | 95% | 5g |
£76.00 | 2022-03-01 | |
| Fluorochem | 209373-10g |
2-(3,4-Dimethylphenyl)acetic acid |
17283-16-8 | 95% | 10g |
£125.00 | 2022-03-01 | |
| Fluorochem | 209373-25g |
2-(3,4-Dimethylphenyl)acetic acid |
17283-16-8 | 95% | 25g |
£280.00 | 2022-03-01 | |
| Chemenu | CM250298-5g |
2-(3,4-Dimethylphenyl)acetic acid |
17283-16-8 | 95% | 5g |
$184 | 2021-06-16 | |
| Chemenu | CM250298-10g |
2-(3,4-Dimethylphenyl)acetic acid |
17283-16-8 | 95% | 10g |
$304 | 2021-06-16 | |
| Chemenu | CM250298-25g |
2-(3,4-Dimethylphenyl)acetic acid |
17283-16-8 | 95% | 25g |
$491 | 2021-06-16 |
2-(3,4-Dimethylphenyl)acetic acid Suppliers
2-(3,4-Dimethylphenyl)acetic acid Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
Additional information on 2-(3,4-Dimethylphenyl)acetic acid
Comprehensive Guide to 2-(3,4-Dimethylphenyl)acetic acid (CAS No. 17283-16-8): Properties, Applications, and Industry Insights
2-(3,4-Dimethylphenyl)acetic acid (CAS No. 17283-16-8) is a versatile organic compound widely used in pharmaceuticals, agrochemicals, and specialty chemical synthesis. With the growing demand for high-purity intermediates in drug development and sustainable chemical processes, this compound has garnered significant attention from researchers and manufacturers alike. Its unique molecular structure, featuring a phenylacetic acid backbone with 3,4-dimethyl substitutions, enables diverse functionalization for targeted applications.
One of the most frequently asked questions about CAS 17283-16-8 revolves around its synthesis methods. Industrial production typically involves Friedel-Crafts alkylation or carboxylation of 3,4-dimethyltoluene, followed by oxidation. Recent advancements in green chemistry have introduced catalytic processes that reduce energy consumption and byproduct formation, aligning with the global push for eco-friendly manufacturing. Analytical techniques like HPLC and GC-MS are critical for verifying the compound's purity, which often exceeds 98% for pharmaceutical-grade material.
In pharmaceutical applications, 2-(3,4-Dimethylphenyl)acetic acid serves as a key intermediate for non-steroidal anti-inflammatory drugs (NSAIDs) and cholesterol-lowering agents. Its structural similarity to biologically active molecules allows for efficient derivatization into target compounds. Researchers are particularly interested in its potential role in developing next-generation analgesics, as evidenced by recent patent filings. The compound's logP value (approximately 2.8) and pKa (4.7±0.2) make it suitable for formulations requiring balanced lipophilicity.
The agrochemical sector utilizes this compound in synthesizing crop protection agents, where its aromatic structure contributes to systemic activity in plants. With increasing regulatory scrutiny on pesticide residues, manufacturers are exploring derivatives of 17283-16-8 that offer improved biodegradability. Recent studies highlight its utility in creating low-environmental-impact fungicides, particularly for cereal crops affected by rust diseases.
From a commercial perspective, the global market for phenylacetic acid derivatives is projected to grow at 5.2% CAGR through 2030, driven by demand from Asia-Pacific pharmaceutical hubs. Suppliers emphasize cGMP compliance and REACH certification as critical quality differentiators. Storage recommendations typically specify ambient temperature in tightly sealed containers to prevent oxidation, with shelf lives exceeding 24 months under proper conditions.
Emerging research explores the compound's potential in material science, particularly as a monomer for specialty polymers with enhanced thermal stability. Its aromatic rigidity and carboxylic functionality enable incorporation into polyesters and polyamides for high-performance applications. This aligns with industry trends toward bio-based materials and functional additives for advanced composites.
Quality control protocols for 2-(3,4-Dimethylphenyl)acetic acid emphasize residual solvent analysis and heavy metal screening, especially for pharmaceutical applications. Modern quality-by-design (QbD) approaches employ DoE methodologies to optimize crystallization processes, ensuring consistent particle size distribution critical for downstream formulation. These practices address common user queries regarding batch-to-batch consistency and regulatory documentation requirements.
Environmental considerations have prompted studies on the compound's biodegradation pathways, showing complete mineralization within 28 days under standard OECD 301B test conditions. This data supports its classification as readily biodegradable, an important factor for manufacturers addressing green chemistry principles and ESG reporting requirements. Transportation regulations classify it under UN 3077 (environmentally hazardous substances) for international shipments.
For researchers sourcing this material, technical specifications typically include: melting point (134-137°C), boiling point (320°C at 760 mmHg), and water solubility (1.2 g/L at 25°C). Spectral data (1H NMR and IR) are essential for identity confirmation, with characteristic peaks at 7.1-7.3 ppm (aromatic protons) and 1705 cm-1 (carboxylic C=O stretch). These parameters frequently appear in search queries from quality control professionals and process chemists.
The future outlook for CAS 17283-16-8 remains positive, with innovation focusing on continuous flow chemistry production methods and enantioselective derivatives for chiral drug synthesis. As industries prioritize atom economy and waste reduction, this compound's versatility positions it as a valuable building block in sustainable chemical development across multiple sectors.
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