25415-67-2

Basic information

• Product Name: ETHYL 4-METHYLVALERATE
• Synonyms: 4-methyl-pentanoicaciethylester;Ethyl isohexanoate;Pentanoic acid, 4-methyl-, ethyl ester;Valeric acid, 4-methyl-, ethyl ester;ETHYL 4-METHYLPENTANOATE;ETHYL 4-METHYLVALERATE;ETHYL ISOCAPROATE;ethylisohexanoate,4-methylpentanoicacidethylester
• CAS NO: 25415-67-2
• Molecular Formula: C₈H₁₆O₂
• Molecular Weight: 144.21
• EINECS: 246-955-9
• Product Categories: Building Blocks;C8 to C9;Carbonyl Compounds;Chemical Synthesis;Esters;Organic Building Blocks
• Mol File: 25415-67-2.mol
• Article Data: 9

Chemical Properties

• Melting Point: -67°C (estimate)
• Boiling Point: 159-160 °C(lit.)
• Flash Point: 43 °C
• Appearance: Colorless clear liquid
• Density: 0.868 g/mL at 20 °C(lit.)
• Vapor Pressure: 2.91mmHg at 25°C
• Refractive Index: n20/D 1.406
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 1747377
• CAS DataBase Reference: ETHYL 4-METHYLVALERATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 4-METHYLVALERATE(25415-67-2)
• EPA Substance Registry System: ETHYL 4-METHYLVALERATE(25415-67-2)

Safety Data

• Statements: 10
• RIDADR: UN 3272 3/PG 3
• WGK Germany: 3
• HazardClass: 3.2
• PackingGroup: III
• Hazardous Substances Data: 25415-67-2(Hazardous Substances Data)

Usage

Description

ETHYL 4-METHYLVALERATE is a colorless clear liquid with a fruity aroma, characterized by its medium strength odor. It is a chemical compound that possesses unique properties, making it suitable for various applications across different industries.

Uses

Used in Flavor Industry:
ETHYL 4-METHYLVALERATE is used as a flavoring agent for its fruity aroma. The medium strength odor of this compound makes it an ideal choice for enhancing the taste and aroma of various food and beverage products.
Used in Fragrance Industry:
In the fragrance industry, ETHYL 4-METHYLVALERATE is used as a component in the creation of various scent profiles. Its fruity aroma adds a pleasant and distinct note to perfumes, colognes, and other fragrance products.
Used in Cosmetics Industry:
ETHYL 4-METHYLVALERATE is also utilized in the cosmetics industry, where it serves as an additive to provide a pleasant and appealing scent to personal care products such as lotions, creams, and shampoos.
Used in the Chemical Industry:
In the chemical industry, ETHYL 4-METHYLVALERATE can be used as an intermediate in the synthesis of other compounds, taking advantage of its unique chemical properties for various applications.
Overall, ETHYL 4-METHYLVALERATE is a versatile compound with a wide range of applications, primarily due to its distinct fruity aroma and medium strength odor. Its uses span across the flavor, fragrance, cosmetics, and chemical industries, where it contributes to enhancing the sensory experience and creating new possibilities for product development.

InChI:InChI=1/C8H16O2/c1-4-10-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3

Upstream product

• 542-54-1 isocapronitrile 
• 64-17-5 ethanol 
• 646-07-1 4-Methylpentanoic acid 
• 4548-78-1 (3-methylbutyl)magnesium bromide 
• 541-41-3 chloroformic acid ethyl ester 
• 105-58-8 Diethyl carbonate 
• 42216-96-6 triethyl orthoacrylate 
• 1068-55-9 isopropylmagnesium chloride 
• 23102-02-5 ethyl 4-methyl-4-nitro-pentanoate 
• 15790-86-0 ethyl-4-methyl-2-(E)-penteneoate 
• 62021-36-7 3-cyclopropyl propionic acid ethyl ester 
• 102488-94-8 4-Methyl-4-nitro-pentanoic acid 2-bromo-ethyl ester 
• 75-30-9 2-iodo-propane 
• 140-88-5 ethyl acrylate 

Downstream Products

• 626-89-1 4-Methyl-1-pentanol 
• 113002-37-2 5-Methyl-1-((R)-toluene-4-sulfinyl)-hexan-2-one 
• 26395-03-9 ethyl 5-methyl-2-oxohexanoate 
• 342642-32-4 2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester 
• 607714-67-0 2-(benzyloxyimino-methyl)-4-methyl-pentanoic acid 
• 607714-46-5 2-(benzyloxyimino-methyl)-4-methyl-pentanoic acid ethyl ester 
• 607714-88-5 2-(Benzyloxyimino-methyl)-4-methyl-pentanoic acid ((S)-1-dimethylcarbamoyl-2,2-dimethyl-propyl)-amide 
• 607715-09-3 (R)-2-(Benzyloxyamino-methyl)-4-methyl-pentanoic acid ((S)-1-dimethylcarbamoyl-2,2-dimethyl-propyl)-amide 
• 607715-30-0 (R)-2-[(Benzyloxy-formyl-amino)-methyl]-4-methyl-pentanoic acid ((S)-1-dimethylcarbamoyl-2,2-dimethyl-propyl)-amide 
• 99212-60-9 (R)-2-((S)-9-Benzyloxycarbonylmethyl-8-oxo-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepten-7-ylamino)-5-ethyl-heptanoic acid ethyl ester 
• 99212-62-1 (S)-2-((S)-9-Benzyloxycarbonylmethyl-8-oxo-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepten-7-ylamino)-5-ethyl-heptanoic acid ethyl ester 
• 113002-33-8 (S)-1-(3-Methyl-butyl)-7-((S)-toluene-4-sulfinyl)-2,6-dioxa-bicyclo[2.2.2]octane 
• 113002-39-4 1-Hydroxy-2-hydroxymethyl-8-methyl-4-((R)-toluene-4-sulfinyl)-nonan-5-one 
• 113002-38-3 1-(2,2-Dimethyl-[1,3]dioxan-5-yl)-6-methyl-2-((R)-toluene-4-sulfinyl)-heptan-3-one 

Relevant articles and documents

Electrochemical radical reactions of alkyl iodides: a highly efficient, clean, green alternative to tin reagents

An electrochemical ‘redox-relay’ system has been developed which allows the generation of C-centered radicals. Intermolecular ‘tin-like’ radical reactions can subsequently be conducted under the most benign of conditions. The yields and efficiency of the processes are competitive and even superior in most cases to comparable conditions with tributyltin hydride. The use of air and electricity as the promotor (instead of a tin or other reagent) combined with the aqueous reaction media make this a clean and ‘green’ alternative to these classic C-C bond forming processes.

Lewis Base Activation of Silyl Acetals: Iridium-Catalyzed Reductive Horner-Wadsworth-Emmons Olefination

A Lewis base promoted deprotonative pronucleophile addition to silyl acetals has been developed and applied to the iridium-catalyzed reductive Horner-Wadsworth-Emmons (HWE) olefination of esters and the chemoselective reduction of the resulting enoates. Lewis base activation of silyl acetals generates putative pentacoordinate silicate acetals, which fragment into aldehydes, silanes, and alkoxides in situ. Subsequent deprotonative metalation of phosphonate esters followed by HWE with aldehydes furnishes enoates. This operationally convenient, mechanistically unique protocol converts the traditionally challenging aryl, alkenyl, and alkynyl esters to homologated enoates at room temperature within a single vessel.

Ultrasound in organic syntheses. 19. Further studies on the conjugate additions to electron deficient olefins in aqeuous media

Alkyl halides add smoothly to a variety of olefinic bonds conjugated with electron withdrawing groups, in the presence of zinc-copper couple. Sonication enhances the efficiency of the process, which takes place in aqeuous media following, most probably, a radical pathway.