Cas no 5467-99-2 (Benzyl 4-methylbenzoate)
Benzyl 4-methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- Benzyl 4-methylbenzoate
- (4-Me)C6H4CO2CH2C6H5
- 4-MeC6H4CO2Bn
- 4-methylbenzoic acid benzyl ester
- 4-methyl-benzoic acid benzyl ester
- AC1L5JP8
- AC1Q6618
- AR-1H9562
- benzenemethyl 4-methylbenzoate
- Benzyl p-toluate
- benzyl-4-methylbenzoate
- CTK1H2659
- p-Toluic acid, benzyl ester
- SureCN6057219
- Benzyl 4-toluate
- NSC 25467
- Benzoic acid, 4-methyl-, phenylmethyl ester
- Benzyl 4-methylbenzoate #
- LNXGEZSXCGDUSD-UHFFFAOYSA-N
- NSC25467
- AM83217
- AK155074
- ST24046118
- AKOS003442383
- NSC-25467
- SCHEMBL6057219
- 5467-99-2
- DTXSID90282338
- SCHEMBL9409652
- 1711-35-9
- MFCD04347391
- CS-0153079
- DS-8198
- Benzyl4-methylbenzoate
- A11094
-
- MDL: MFCD04347391
- Inchi: 1S/C15H14O2/c1-12-7-9-14(10-8-12)15(16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
- InChI Key: LNXGEZSXCGDUSD-UHFFFAOYSA-N
- SMILES: O(C(C1C=CC(C)=CC=1)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 226.09942
- Monoisotopic Mass: 226.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 235
- 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: 4.3
- Topological Polar Surface Area: 26.3
Experimental Properties
- Color/Form: No data avaiable
- Density: 1.107±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 45-47 oC
- Boiling Point: 344.2±11.0 °C at 760 mmHg
- Flash Point: 154.4±4.0 °C
- Refractive Index: 1.573
- Solubility: Almost insoluble (0.038 g/l) (25 o C),
- PSA: 26.3
- LogP: 3.35200
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
Benzyl 4-methylbenzoate 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:Store at 4 ° C, -4 ° C is better
Benzyl 4-methylbenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019093597-5g |
Benzyl 4-methylbenzoate |
5467-99-2 | 95% | 5g |
$174.60 | 2023-09-01 | |
| Alichem | A019093597-10g |
Benzyl 4-methylbenzoate |
5467-99-2 | 95% | 10g |
$313.60 | 2023-09-01 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B857905-1g |
Benzyl 4-methylbenzoate |
5467-99-2 | ≥97% | 1g |
¥63.00 | 2022-09-02 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-JB492-5g |
Benzyl 4-methylbenzoate |
5467-99-2 | 95+% | 5g |
316CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-JB492-1g |
Benzyl 4-methylbenzoate |
5467-99-2 | 95+% | 1g |
¥106.0 | 2022-06-09 | |
| abcr | AB442184-1 g |
Benzyl 4-methylbenzoate; . |
5467-99-2 | 1g |
€74.60 | 2022-06-10 | ||
| abcr | AB442184-5 g |
Benzyl 4-methylbenzoate; . |
5467-99-2 | 5g |
€116.90 | 2022-06-10 | ||
| abcr | AB442184-10 g |
Benzyl 4-methylbenzoate; . |
5467-99-2 | 10g |
€162.20 | 2022-06-10 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | B93920-1g |
Benzyl 4-methylbenzoate |
5467-99-2 | 95% | 1g |
¥47.0 | 2023-09-08 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | B93920-5g |
Benzyl 4-methylbenzoate |
5467-99-2 | 95% | 5g |
¥188.0 | 2023-09-08 |
Benzyl 4-methylbenzoate Suppliers
Benzyl 4-methylbenzoate Related Literature
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1. 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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
Related Categories
- Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzoic acid esters
- Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Benzoic acid esters
- Solvents and Organic Chemicals Organic Compounds Acids/Esters
Additional information on Benzyl 4-methylbenzoate
Benzyl 4-methylbenzoate (CAS No. 5467-99-2): Properties, Applications, and Industry Insights
Benzyl 4-methylbenzoate (CAS No. 5467-99-2), also known as benzyl p-toluate, is an organic ester compound widely used in fragrance formulations and specialty chemical applications. This aromatic ester combines the benzoic acid derivative with a benzyl alcohol component, creating unique chemical properties that make it valuable across multiple industries.
The molecular structure of Benzyl 4-methylbenzoate features a methyl group at the para position of the benzene ring, which significantly influences its physical and chemical characteristics. With a molecular formula of C15H14O2 and molecular weight of 226.27 g/mol, this compound typically appears as a colorless to pale yellow liquid with a mild, pleasant odor reminiscent of balsamic notes.
In the fragrance industry, Benzyl 4-methylbenzoate serves as a versatile fixative agent and aroma chemical. Its excellent stability and compatibility with various fragrance ingredients make it particularly valuable for creating long-lasting perfumes, soaps, and cosmetic products. Recent trends in clean beauty formulations and sustainable fragrance development have increased interest in this compound as manufacturers seek alternatives to synthetic musks.
The compound's solubility profile makes it suitable for diverse applications. It is soluble in most organic solvents including ethanol, diethyl ether, and chloroform, but shows limited solubility in water. This property is particularly valuable when developing microencapsulation systems for controlled fragrance release - a technology gaining popularity in textile finishing and home care products.
From a synthesis perspective, Benzyl 4-methylbenzoate is typically produced through esterification reactions between 4-methylbenzoic acid and benzyl alcohol. Modern production methods emphasize green chemistry principles, with many manufacturers adopting enzyme-catalyzed processes or microwave-assisted synthesis to improve efficiency and reduce environmental impact.
The global market for Benzyl 4-methylbenzoate has shown steady growth, particularly in the Asia-Pacific region where fragrance and personal care industries are expanding rapidly. Industry analysts attribute this growth to increasing demand for luxury fragrances and premium personal care products in emerging economies. The compound's regulatory status as generally recognized as safe (GRAS) for fragrance applications further supports its market potential.
Recent advancements in analytical chemistry have improved quality control measures for Benzyl 4-methylbenzoate production. Techniques like GC-MS analysis and HPLC purity testing now enable manufacturers to achieve purity levels exceeding 99%, meeting the stringent requirements of pharmaceutical-grade applications where the compound serves as an intermediate.
In material science applications, researchers are exploring the potential of Benzyl 4-methylbenzoate as a plasticizer for specialty polymers. Its compatibility with certain biodegradable plastics makes it particularly interesting for eco-friendly packaging solutions - a hot topic in the circular economy discussions.
The storage and handling of Benzyl 4-methylbenzoate require standard chemical safety precautions. While not classified as hazardous under normal conditions, it should be stored in airtight containers away from strong oxidizers and heat sources to maintain stability. Proper ventilation systems are recommended when handling large quantities in industrial settings.
Looking toward future applications, Benzyl 4-methylbenzoate is being investigated for potential use in advanced drug delivery systems due to its favorable partition coefficient and biocompatibility. These developments align with growing interest in excipient innovation within the pharmaceutical industry.
For researchers and industry professionals seeking technical specifications, Benzyl 4-methylbenzoate typically exhibits a boiling point of approximately 320°C (608°F) and a refractive index of 1.555-1.560 at 20°C. Its flash point exceeds 100°C (212°F), classifying it as a combustible rather than flammable material under standard conditions.
The supply chain for Benzyl 4-methylbenzoate remains robust, with major producers located in Europe, North America, and Asia. Recent developments in blockchain technology for chemical tracking are being implemented by leading suppliers to ensure supply chain transparency and quality assurance - addressing growing concerns about ingredient provenance in consumer products.
Environmental considerations for Benzyl 4-methylbenzoate indicate favorable biodegradation characteristics under aerobic conditions. Studies show approximately 70-80% degradation within 28 days in standard OECD 301 tests, making it suitable for formulations targeting eco-conscious consumers.
In conclusion, Benzyl 4-methylbenzoate (CAS No. 5467-99-2) represents a versatile chemical with growing importance across multiple industries. Its unique combination of aromatic properties, chemical stability, and regulatory acceptance positions it as a valuable ingredient in fragrance, personal care, and specialty chemical applications. As research continues to uncover new potential uses, this compound will likely maintain its relevance in an evolving chemical landscape focused on sustainability and innovation.
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