Cas no 32857-63-9 (4-tert-Butylphenylacetic Acid)
4-tert-Butylphenylacetic Acid Chemical and Physical Properties
Names and Identifiers
-
- (4-tert-Butylphenyl)acetic acid
- 4-(1,1-dimethylethyl)-benzeneaceticaci
- RARECHEM AL BO 0709
- 4-T-BUTYLPHENYLACETIC ACID
- 4-TERT-BUTYLPHENYLACETIC ACID
- BENZENEACETIC ACID, 4-(1,1-DIMETHYLETHYL)-
- ASISCHEM Y85510
- Butylphenylessigsureca
- 2-(4-(tert-Butyl)phenyl)acetic acid
- 2-(4-tert-butylphenyl)acetic acid
- 4-(t-Butyl)-phenylacetic acid
- TB2
- 4-tert-Butyl-benzene-1-acetic acid
- AKOS000154522
- MFCD00082593
- GVB4SG934E
- 4-tert-Butylphenylacetic acid, AldrichCPR
- NS00029366
- 4-tert-butyl-phenyl acetic acid
- BB 0248971
- DTXSID9067728
- PS-8328
- (4-tert-Butylphenyl)acetic acid #
- Z57309485
- EINECS 251-264-0
- 4-(1,1-Dimethylethyl)benzeneacetic acid
- AE-848/00908019
- [4-(2-Methyl-2-propanyl)phenyl]acetic acid
- B4307
- (p-tert-Butylphenyl)acetic acid
- SY014222
- AM83122
- [4-(1,1-dimethylethyl)phenyl]acetic acid
- CS-0130494
- Acetic acid, (p-tert-butylphenyl)-
- EN300-111584
- (4-tert-Butyl-phenyl)-acetic acid
- FT-0639061
- SCHEMBL840854
- AC-23616
- 32857-63-9
- Fenazaquin metabolite NN6
- 4-(tert-Butyl)phenylacetic acid
- BBL020444
- STK893161
- DB-048283
- 4-tert-Butylbenzeneacetic acid
- 4-tert-Butylphenylacetic Acid
-
- MDL: MFCD00082593
- Inchi: 1S/C12H16O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
- InChI Key: RUAYXHSDAMWEDR-UHFFFAOYSA-N
- SMILES: OC(CC1C=CC(=CC=1)C(C)(C)C)=O
Computed Properties
- Exact Mass: 192.11500
- Monoisotopic Mass: 192.11503
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 195
- 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: 3.2
- Topological Polar Surface Area: 37.3
Experimental Properties
- Color/Form: No data available
- Density: 1.047
- Melting Point: 79.0 to 83.0 deg-C
- Boiling Point: 302.8℃ at 760 mmHg
- Flash Point: 199.9℃
- PSA: 37.30000
- LogP: 2.61120
4-tert-Butylphenylacetic Acid Security Information
-
Symbol:
- Prompt:warning
- Signal Word:warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Category Code: 36/37/38-22
- Safety Instruction: S26; S36/37/39
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Risk Phrases:R36/37/38
- Storage Condition:Store at 4°C,-4At ℃Store…Better
4-tert-Butylphenylacetic 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%
4-tert-Butylphenylacetic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B823858-25g |
4-tert-Butylphenylacetic acid |
32857-63-9 | 97% | 25g |
470.00 | 2021-05-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B4307-25g |
4-tert-Butylphenylacetic Acid |
32857-63-9 | 98.0%(GC&T) | 25g |
1200CNY | 2021-05-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B4307-5g |
4-tert-Butylphenylacetic Acid |
32857-63-9 | 98.0%(GC&T) | 5g |
395CNY | 2021-05-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-XD204-1g |
4-tert-Butylphenylacetic Acid |
32857-63-9 | 98% | 1g |
71CNY | 2021-05-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-XD204-5g |
4-tert-Butylphenylacetic Acid |
32857-63-9 | 98% | 5g |
142.0CNY | 2021-07-16 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-XD204-250mg |
4-tert-Butylphenylacetic Acid |
32857-63-9 | 98% | 250mg |
40CNY | 2021-05-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-XD204-25g |
4-tert-Butylphenylacetic Acid |
32857-63-9 | 98% | 25g |
677CNY | 2021-05-10 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T82970-1g |
4-tert-Butylphenylacetic acid |
32857-63-9 | 98% | 1g |
¥22.0 | 2023-09-06 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T82970-5g |
4-tert-Butylphenylacetic acid |
32857-63-9 | 98% | 5g |
¥35.0 | 2023-09-06 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T82970-100g |
4-tert-Butylphenylacetic acid |
32857-63-9 | 98% | 100g |
¥564.0 | 2023-09-06 |
4-tert-Butylphenylacetic Acid Suppliers
4-tert-Butylphenylacetic Acid Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
Additional information on 4-tert-Butylphenylacetic Acid
Comprehensive Overview of 4-tert-Butylphenylacetic Acid (CAS No. 32857-63-9): Properties, Applications, and Industry Insights
4-tert-Butylphenylacetic Acid (CAS No. 32857-63-9) is a versatile organic compound widely utilized in pharmaceutical, cosmetic, and specialty chemical industries. This white crystalline powder, with a molecular formula of C12H16O2, is recognized for its unique structural features, including a tert-butyl group and a phenylacetic acid moiety. Its balanced lipophilicity and acidity make it valuable for synthesizing esters, amides, and other derivatives with tailored properties.
Recent trends highlight growing interest in 4-tert-Butylphenylacetic Acid uses as a precursor in fragrance formulations and skin-care actives, aligning with the "clean beauty" movement. Researchers are exploring its potential in sustainable synthesis methods, responding to Google searches like "eco-friendly aromatic acid production." The compound’s CAS 32857-63-9 solubility in organic solvents (e.g., ethanol, DMSO) and mild water insolubility are frequently queried, underscoring its formulation flexibility.
From a technical perspective, 4-tert-Butylphenylacetic Acid exhibits a melting point range of 105–108°C and a molecular weight of 192.26 g/mol. Its carboxylic acid functionality enables reactions such as esterification, while the tert-butyl substituent enhances steric stability—a feature often discussed in forums on "bulky group effects in organic synthesis." Analytical techniques like HPLC and GC-MS are commonly employed for purity verification (>98%), addressing quality concerns in pharmaceutical intermediates manufacturing.
The compound’s role in non-steroidal anti-inflammatory drug (NSAID) research has gained attention, with patent filings referencing its derivatives for targeted therapies. This aligns with PubMed-indexed studies on "phenylacetic acid anti-inflammatory mechanisms." Additionally, its application in liquid crystal materials and polymer additives caters to material science innovations, frequently searched alongside terms like "high-performance aromatic compounds."
Regulatory compliance is another hotspot, as evidenced by searches for "4-tert-Butylphenylacetic Acid safety data." The compound is generally classified as non-hazardous under standard handling conditions, though proper PPE (gloves, goggles) is recommended during laboratory use. Its REACH registration status and FDA compliance for specific applications are critical considerations for industrial buyers.
Market analysts note rising demand for CAS 32857-63-9 suppliers in Asia-Pacific regions, driven by expanding cosmeceutical and agrochemical sectors. Technical bulletins emphasize batch-to-batch consistency, with advanced purification methods like recrystallization ensuring compliance with USP/EP standards. Storage recommendations (20–25°C in airtight containers) and shelf life optimization strategies are also prominent in procurement discussions.
Innovative applications continue to emerge, such as its incorporation into bio-based plasticizers and UV-stabilizing coatings—topics trending in sustainable chemistry circles. The compound’s structure-activity relationship (SAR) in medicinal chemistry remains a focus, particularly in computer-aided drug design (CADD) studies leveraging its modular scaffold.
For researchers investigating phenylacetic acid derivatives, this compound serves as a benchmark for studying electronic effects and steric hindrance in aromatic systems. Its NMR spectral data (characteristic peaks at 7.2–7.4 ppm for aromatic protons) and FT-IR signatures (1700 cm-1 C=O stretch) are well-documented in spectral databases, facilitating structural confirmation.
Environmental fate studies indicate 4-tert-Butylphenylacetic Acid undergoes biodegradation via microbial pathways, with recent publications exploring its metabolic breakdown in soil systems. These findings support its inclusion in green chemistry workflows, particularly when compared to halogenated analogs.
In summary, 4-tert-Butylphenylacetic Acid (CAS No. 32857-63-9) represents a multifaceted building block bridging academic research and industrial applications. Its evolving applications—from fragrance fixatives to advanced material science—position it as a compound of enduring relevance in synthetic organic chemistry.
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