2835-39-4

Basic information

• Product Name: ALLYL ISOVALERATE
• Synonyms: ALLYL ISOPENTANOATE;ALLYL ISOVALERATE;ALLYL ISOVALERIANATE;ALLYL-3-METHYL BUTYRATE;2-PROPENYL ISOPENTANOATE;FEMA 2045;2-Propenyl 3-methylbutanoate;2-Propenyl isovalerate
• CAS NO: 2835-39-4
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.2
• EINECS: 220-609-7
• Product Categories: A-B;Alphabetical Listings;Flavors and Fragrances
• Mol File: 2835-39-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 155 °C(lit.)
• Flash Point: 139 °F
• Appearance: /
• Density: 0.88 g/mL at 25 °C(lit.)
• Vapor Pressure: 1.95mmHg at 25°C
• Refractive Index: n20/D 1.416(lit.)
• CAS DataBase Reference: ALLYL ISOVALERATE(CAS DataBase Reference)
• NIST Chemistry Reference: ALLYL ISOVALERATE(2835-39-4)
• EPA Substance Registry System: ALLYL ISOVALERATE(2835-39-4)

Safety Data

• Hazard Codes: Xn
• Statements: 21/22-36/37/38
• Safety Statements: 26-36
• RIDADR: UN 1992 3/PG 3
• WGK Germany: 3
• RTECS: NY1412000
• HazardClass: 3.2
• PackingGroup: III
• Hazardous Substances Data: 2835-39-4(Hazardous Substances Data)

Usage

Chemical Properties

Different sources of media describe the Chemical Properties of 2835-39-4 differently. You can refer to the following data:
1. Organic compound.
2. A liquid with a fruit-like (apple, cherry) aroma. Used as a flavoring agent or adjuvant

Uses

Allyl Isovalerate is a synthetic flavoring agent that is a stable, color- less to light yellow liquid of fruity odor. it should be stored in glass or tin containers. it has usage in fruit flavors with applications in beverages, baked goods, ice cream, and candy at 8–50 ppm.

Preparation

By direct esterification in the presence of benzene.

Taste threshold values

Taste characteristics at 5 ppm: sweet fruity, with an apple, banana, pineapple and bubble gum-like nuance

General Description

Clear colorless to pale yellow liquid with overripe fruit odor and an apple taste.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

ALLYL ISOVALERATE may react vigorously with strong oxidizing agents. Can react exothermically with reducing agents (such as alkali metals and hydrides) to release gaseous hydrogen. May react exothermically with both acids and bases.

Hazard

Toxic, irritant, questionable carcinogen

Fire Hazard

ALLYL ISOVALERATE is combustible.

InChI:InChI=1/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3

Upstream product

• 503-74-2 3-methylbutyric acid 
• 107-18-6 allyl alcohol 
• 107-05-1 3-chloroprop-1-ene 

Downstream Products

• 1575-71-9 2-isopropylpent-4-enoic acid 
• 56620-95-2 3-methyl-2-allylcyclohexanone 

Relevant articles and documents

Allyl isovalerate synthesis method

The invention discloses an allyl isovalerate synthesis method, which comprises: (1) mixing isovaleric acid, sodium hydroxide and water, carrying out a stirring reaction at a temperature of 70-80 DEG Cfor 2-4 h, carrying out normal pressure distillation to remove 50-55% of water, adding toluene, distilling, and completely removing the water from the system to obtain a toluene suspension of sodiumisovalerate; (2) adding allyl chloride and a phase transfer catalyst into the toluene suspension obtained in the step (1), carrying out a reflux reaction for 6-8 h, and washing the reaction solution with water 1-3 times to obtain crude allyl isovalerate; and (3) distilling the crude allyl isovalerate to recover allyl chloride and toluene, and carrying out pressure reducing distillation to obtain the finished allyl isovalerate. According to the invention, allyl isovalerate is synthesized by using isovaleric acid, sodium hydroxide and allyl chloride as main raw materials without strong acids, such that the equipment is not corroded, the generated wastewater is small in amount and easy to treat, and the highly toxic chemical product allyl alcohol is replaced with allyl chloride so as to reduce the harm to human bodies and the environment and achieve safe and environmentally friendly production.

Mild, rapid, and inexpensive microwave-assisted synthesis of allylic and propargylic esters

A variety of allylic and propargylic esters were rapidly prepared via microwave heating of their corresponding mixed anhydride derived from pivaloyl chloride. The reaction conditions were modified to account for the sterics of the alcohol and the electronics of the carboxylic acid. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications to view the free supplemental file.