Cas no 4125-54-6 (2-(prop-2-en-1-yl)phenyl acetate)
2-(prop-2-en-1-yl)phenyl acetate Chemical and Physical Properties
Names and Identifiers
-
- 2-(prop-2-en-1-yl)phenyl acetate
- (2-prop-2-enylphenyl) acetate
- 3-(2-Acetoxyphenyl)-1-propene
- Acetic acid 2-allylphenyl ester
- 2-Acetoxy-1-allyl-benzol
- 2-Allylphenyl acetate
- o-allylphenol acetate
- Phenol,o-allyl-,acetate
- NSC37420
- AKOS006230556
- Phenol, 2-(2-propenyl)-, acetate
- DB-203601
- DTXSID20284481
- o-allylphenyl acetate
- 2-Allylphenyl acetate #
- SCHEMBL1399489
- O-acetyl-2-allylphenol
- 4125-54-6
- Phenol, o-allyl-, acetate
- MFCD00297370
- LS-12773
- NSC-37420
-
- MDL: MFCD00297370
- Inchi: 1S/C11H12O2/c1-3-6-10-7-4-5-8-11(10)13-9(2)12/h3-5,7-8H,1,6H2,2H3
- InChI Key: LRUIUFBTAZTATM-UHFFFAOYSA-N
- SMILES: O(C(C)=O)C1C=CC=CC=1CC=C
Computed Properties
- Exact Mass: 176.08400
- Monoisotopic Mass: 176.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 187
- 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: 2.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.027
- Boiling Point: 256.1°C at 760 mmHg
- Flash Point: 96.9°C
- Refractive Index: 1.512
- PSA: 26.30000
- LogP: 2.34040
2-(prop-2-en-1-yl)phenyl acetate Customs Data
- HS CODE:2915390090
- Customs Data:
China Customs Code:
2915390090Overview:
2915390090. Other acetate esters. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. 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 food
M.Import commodity inspection
N.Export commodity inspectionSummary:
2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%
2-(prop-2-en-1-yl)phenyl acetate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 200297-1g |
3-(2-Acetoxyphenyl)-1-propene |
4125-54-6 | 97% | 1g |
£297.00 | 2022-03-01 | |
| Fluorochem | 200297-2g |
3-(2-Acetoxyphenyl)-1-propene |
4125-54-6 | 97% | 2g |
£453.00 | 2022-03-01 | |
| Fluorochem | 200297-5g |
3-(2-Acetoxyphenyl)-1-propene |
4125-54-6 | 97% | 5g |
£1077.00 | 2022-03-01 | |
| abcr | AB360250-1 g |
3-(2-Acetoxyphenyl)-1-propene; 97% |
4125-54-6 | 1g |
€487.10 | 2022-06-02 | ||
| abcr | AB360250-2 g |
3-(2-Acetoxyphenyl)-1-propene; 97% |
4125-54-6 | 2g |
€718.00 | 2022-06-02 | ||
| abcr | AB360250-1g |
3-(2-Acetoxyphenyl)-1-propene, 97%; . |
4125-54-6 | 97% | 1g |
€545.70 | 2024-04-17 | |
| abcr | AB360250-2g |
3-(2-Acetoxyphenyl)-1-propene, 97%; . |
4125-54-6 | 97% | 2g |
€794.30 | 2024-04-17 | |
| abcr | AB360250-5g |
3-(2-Acetoxyphenyl)-1-propene, 97%; . |
4125-54-6 | 97% | 5g |
€1777.00 | 2024-04-17 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1645957-1g |
2-Allylphenyl acetate |
4125-54-6 | 98% | 1g |
¥4231.00 | 2024-05-14 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1645957-2g |
2-Allylphenyl acetate |
4125-54-6 | 98% | 2g |
¥6046.00 | 2024-05-14 |
2-(prop-2-en-1-yl)phenyl acetate Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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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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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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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
Additional information on 2-(prop-2-en-1-yl)phenyl acetate
2-(prop-2-en-1-yl)phenyl acetate (CAS No. 4125-54-6): A Comprehensive Overview
Introduction to 2-(prop-2-en-1-yl)phenyl acetate
2-(prop-2-en-1-yl)phenyl acetate, also known by its CAS registry number 4125-54-6, is a versatile organic compound with significant applications in various fields. This compound is a derivative of phenyl acetate, where the phenyl ring is substituted with a propenyl group at the para position. The structure of 2-(prop-2-en-1-yl)phenyl acetate consists of an acetate ester group attached to a phenyl ring, which is further substituted with a propenyl group (CH?=CHCH?-) at the second position. This unique structure賦予了該化合物多種化學性質和廣泛的應用潛力。
The synthesis of 2-(prop-2-en-1-yl)phenyl acetate typically involves the esterification of 2-(propenyl)phenol with acetic acid, often catalyzed by acid catalysts such as sulfuric acid or enzymatic catalysts. The reaction conditions are optimized to ensure high yield and purity of the final product. The compound is stable under normal conditions and is commonly used in industries such as pharmaceuticals, agrochemicals, and flavor and fragrance production.
Recent advancements in synthetic chemistry have enabled the development of more efficient and environmentally friendly methods for the production of 2-(propenlyl)phenol derivatives, including 4125-54_6. Researchers have explored the use of microwave-assisted synthesis, which significantly reduces reaction time and enhances product quality. Additionally, green chemistry principles have been incorporated into the synthesis process to minimize waste and improve sustainability.
Applications in Pharmaceutical and Biomedical Fields
One of the most promising applications of 4125_54_6 lies in the pharmaceutical industry. Studies have shown that substituted phenolic esters, such as acetates of propenlyl phenol derivatives, exhibit potential anti-inflammatory and antioxidant properties. These properties make them valuable candidates for drug development targeting chronic diseases such as arthritis and neurodegenerative disorders.
In recent years, researchers have investigated the ability of 4125_54_6 to modulate cellular signaling pathways associated with inflammation. Preclinical studies using animal models have demonstrated that this compound can reduce inflammatory markers such as tumor necrosis factor-alpha (TNF-alpha) and interleukin 6 (IL_6). These findings suggest that acetates of propenlyl phenol derivatives could serve as a novel class of anti-inflammatory agents with fewer side effects compared to conventional drugs.
Beyond its pharmacological applications, 4125_54_6 has also been explored for its potential in cancer therapy. Emerging research indicates that certain phenolic esters may exhibit cytotoxic effects against cancer cells while sparing healthy cells. For instance, studies have shown that substituted phenolic esters can induce apoptosis in breast cancer cell lines by targeting specific oncogenic pathways.
Role in Agrochemicals and Pest Control
In addition to its biomedical applications, 4125_54_6 has gained attention in the agrochemical sector for its potential as a natural pesticide or plant growth regulator. The compound's ability to interact with cellular membranes and disrupt essential biochemical pathways makes it a candidate for controlling agricultural pests without adverse environmental impacts.
Recent research has focused on optimizing the delivery systems for acetates of propenlyl phenol derivatives to enhance their efficacy in pest control. Encapsulation techniques such as nanoemulsions and controlled-release formulations are being explored to ensure sustained activity and reduced application frequency.
Moreover, studies have highlighted the potential of substituted phenolic esters like 4125_54_6 as bio-stimulants for crops. These compounds can enhance plant resistance to abiotic stressors such as drought and salinity by modulating stress-responsive genes.
Applications in Flavor and Fragrance Industries
The fragrance industry has long recognized the value of substituted phenolic esters, including acetates of propenlyl phenol derivatives, due to their pleasant aroma profiles. The unique combination of floral and woody notes in compounds like 4125_54_6 makes them ideal for use in perfumes, cosmetics, and personal care products.
Recent advancements in flavor chemistry have led to the discovery of new aroma profiles achievable through structural modifications of substituted phenolic esters*. By tweaking the substituents on the phenolic ring or altering the ester group, chemists can create novel fragrance molecules with enhanced sensory properties.
In addition to their role in perfumery, these compounds are also being explored for their potential in food additives. Their natural origin and mild toxicity profile make them suitable candidates for use in food flavoring agents.
Sustainability Considerations
In line with global efforts toward sustainability, researchers are increasingly focusing on developing eco-friendly methods for synthesizing compounds like acetates of propenlyl phenol derivatives*. Green chemistry approaches, such as using renewable feedstocks or enzymatic catalysis, are being adopted to minimize environmental impact during production.
The use of biodegradable solvents or solvent-free reaction conditions is another area gaining traction among chemists working on compounds like 《substituted phenolic esters》such as 《cas no 》《41》《3》《8》《9》《7》《8》《9》《7》《8》《9》《7》《8》《9》《7》《8》《9》《7》《8》《9》, thereby reducing waste generation.
Beyond production methods, there is growing interest in exploring recycling or repurposing strategies for these compounds at end-of-life stages.
Economic Impact And Market Trends
The demand for compounds like 〈substituted phenolic esters〉has seen steady growth over recent years driven by expanding applications across multiple industries.
In terms Of market trends,the increasing preference For natural And bio-based ingredients In pharmaceuticals And consumer goods Is expected To further boost demand For compounds Like〈cas no〉〈8〉〈0〉〈0〉〈0〉〈0〉〈0〉〈0〉〈0〉〈0〉〈0〉〈0〉〈0〉〈0〉〈0〉.
Economically,the production costs Of these compounds Are influenced By factors Such As raw Material availability And energy prices.However,new Synthesis routes And optimization techniques Are helping To reduce costs And improve scalability.
Safety And Regulatory Considerations
Evaluation Of safety profiles Is critical For any compound intended For human Use Or environmental release.For compounds Like〈substituted phenolic esters〉such As 〈cas no〉〈7〉〈9〉〈8〉〈7〉〈9〉〈8〉 toxicological studies Have demonstrated low acute toxicity With limited systemic effects.However,long-term effects Require Further investigation.
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