10415-86-8

Basic information

• Product Name: 4-methylphenyl valerate
• Synonyms: 4-methylphenyl valerate;p-Cresyl valerate;Pentanoic acid 4-methylphenyl ester;Valeric acid p-tolyl ester;Einecs 233-888-5;para-cresyl valerate
• CAS NO: 10415-86-8
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.25424
• EINECS: 233-888-5
• Mol File: 10415-86-8.mol

Chemical Properties

• Boiling Point: 268.4°Cat760mmHg
• Flash Point: 100°C
• Appearance: /
• Density: 0.996g/cm³
• Vapor Pressure: 0.00771mmHg at 25°C
• Refractive Index: 1.495
• CAS DataBase Reference: 4-methylphenyl valerate(CAS DataBase Reference)
• NIST Chemistry Reference: 4-methylphenyl valerate(10415-86-8)
• EPA Substance Registry System: 4-methylphenyl valerate(10415-86-8)

Safety Data

• Hazardous Substances Data: 10415-86-8(Hazardous Substances Data)

Usage

Uses

Used in Fragrance Industry:
4-Methylphenyl valerate is used as a synthetic flavoring agent for imparting a sweet, fruity, and floral aroma to perfumes, colognes, and other scented products. Its unique scent profile contributes to the creation of a wide range of fragrances, enhancing the sensory experience of consumers.
Used in Food and Beverage Industry:
In the food and beverage industry, 4-methylphenyl valerate is used as a food additive to enhance the flavor and scent of various products. Its ability to impart a pleasant aroma and taste makes it suitable for use in a variety of applications, including beverages, confectionery, and savory products.
Used in Pharmaceutical Industry:
4-Methylphenyl valerate has potential applications in the pharmaceutical industry, where it may be utilized as an active ingredient or as a component in the formulation of various medications. Its unique properties could contribute to the development of new drugs or the enhancement of existing ones.
Used as a Precursor in Organic Synthesis:
4-Methylphenyl valerate can also serve as a precursor in the synthesis of other organic compounds. Its chemical structure allows for further reactions and modifications, making it a valuable building block in the creation of new molecules with specific properties and applications.
However, it is crucial to handle 4-methylphenyl valerate with care, as it may pose certain health and safety risks if not properly managed. Proper handling and storage procedures should be followed to minimize any potential hazards associated with this chemical.

InChI:InChI=1/C12H16O2/c1-3-4-5-12(13)14-11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3

Upstream product

• 1671-77-8 n-butyl p-tolyl ketone 
• 106-44-5 p-cresol 
• 109-52-4 valeric acid 
• 638-29-9 n-valeryl chloride 
• 542-69-8 1-iodo-butane 
• 201230-82-2 carbon monoxide 
• 110-62-3 pentanal 

Relevant articles and documents

Rhodium-Catalyzed Carbonylative Coupling of Alkyl Halides with Phenols under Low CO Pressure

A rhodium-catalyzed carbonylative transformation of alkyl halides under low pressure of CO has been developed. This robust catalyst system allows using phenols as the carbonylative coupling partner and, meanwhile, exhibits high functional group tolerance and good chemoselectivity. Substrates even with a large steric hindrance group or multiple reaction sites can be selectively converted into the desired products in good to excellent yields. A gram-scale experiment was performed and delivered an almost quantitative amount of the product. Control experiments were performed as well, and a possible reaction mechanism is proposed.

Photoinduced Specific Acylation of Phenolic Hydroxy Groups with Aldehydes

A convenient method is reported to specifically acylate phenolic hydroxyl groups through a radical pathway. When a mixture of an aldehyde and a phenol in ethyl acetate is irradiated with blue light in the presence of iridium and nickel bromide catalysts at ambient temperature, phenoxyl and acyl radicals are transiently generated in situ and cross-couple to furnish an ester. Aliphatic hydroxy groups remain untouched under the reaction conditions.

Lipase catalyzed esterification of cresols

Esters of m- and p-cresols with organic acids having carbon chain lengths C2-C18 have been prepared by using lipases from porcine pancreas and Rhizomucor miehei. Gram level conversions are carried out under non-solvent conditions in case of shake flask experiments and continuous removal of water at bench-scale levels. Addition of 0.1 mL of 0.1M phosphate buffer at pH 7.0 to the reaction mixture shows better conversions. Optimization studies have been carried out for p-cresyl laurate synthesis using Rhizomucor miehei lipase which show a maximum conversion of 74.4 %. Better conversions are obtained with larger amounts of enzyme. Porcine pancreas lipase catalyzed synthesis of m- and p-cresyl esters show that under identical reaction conditions acids with lower carbon chain lengths (C2-C4) give ester yields above 30%, while those with longer carbon chain lengths give ester yields 30%.

Chromone fungicides

Compounds of the formula where one of Z and Y is CO and the other is C-W-R2 and the dotted line indicates a double bond is present where necessary to meet valency requirements, W is O, S(O)n, N(R3), N(R3)(R4), N(R3)O or ON(R3); R1 is hydrogen, or an optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, phenyl or heterocyclyl group; R2, R3 and R4, which may be the same or different, are as defined above for R1, or are acyl, or R2 and R3 or R2 and R4 or R3 and R4 together with the nitrogen or oxygen to which they are attached form an optionally substituted ring which may contain other hetero atoms; each X, which may be the same as or different from any other X, is halogen, CN, NO2, SF5, B(OH)2, triakylsilyl or a group E, OE or S(O)nE where E is a group as defined hereinbefore for R2 or is optionally substituted amino; or two adjacent groups X together with the atoms to which they are attached form an optionally substituted carbocyclic or heterocyclic ring; n is 0, 1 or 2; and p is 0 to 4 have fungicidal activity. Many of the compounds are novel.

MODIFIED CONDITIONS FOR EFFICIENT BAEYER-VILLIGER OXIDATION WITH m-CPBA

The utility of 3-chloroperoxybenzoic acid (m-CPBA) combined with trifluoroacetic acid (TFA) in Baeyer-Villiger oxidations is described.These conditions offer practical advantages over alternative procedures.