32665-23-9

Basic information

• Product Name: FEMA 2961
• Synonyms: 3-methyl-butanoicaci1-methylethylester;3-methyl-butyricacidisopropylester;Isopropyl 3-methylbutanoate;ISOPROPYL ISOVALERATE;FEMA 2961;Butanoic acid, 3-methyl-, 1-methylethyl ester;Isovaleric acid isopropyl ester
• CAS NO: 32665-23-9
• Molecular Formula: C₈H₁₆O₂
• Molecular Weight: 144.21
• EINECS: 251-145-3
• Mol File: 32665-23-9.mol
• Article Data: 7

Chemical Properties

• Melting Point: -63.35°C (estimate)
• Boiling Point: 162.84°C (estimate)
• Flash Point: 34.7 °C
• Appearance: /
• Density: 0.8538
• Vapor Pressure: 5.1mmHg at 25°C
• Refractive Index: 1.3960
• CAS DataBase Reference: FEMA 2961(CAS DataBase Reference)
• NIST Chemistry Reference: FEMA 2961(32665-23-9)
• EPA Substance Registry System: FEMA 2961(32665-23-9)

Safety Data

• Hazardous Substances Data: 32665-23-9(Hazardous Substances Data)

Usage

Description

FEMA 2961, also known as Isopropyl isovalerate, is a chemical compound with an ether-like odor similar to the n-propyl ester and a sweet, apple-like taste. It can be prepared from isobutene and isopropyl alcohol in the presence of CO and HF under pressure.
Used in Flavor Industry:
FEMA 2961 is used as a flavoring agent for its sweet, apple-like taste. It is commonly used in the food and beverage industry to impart a pleasant apple flavor to various products.
Used in Fragrance Industry:
FEMA 2961 is also used as a fragrance ingredient in the perfumery and cosmetics industry. Its ether-like odor makes it a suitable component for creating various scent profiles.
Used in Chemical Industry:
In the chemical industry, FEMA 2961 can be used as an intermediate in the synthesis of other compounds or as a solvent for various chemical reactions. Its unique chemical properties make it a versatile component in the production of different chemical products.

Preparation

From isobutene and isopropyl alcohol in the presence of CO and HF under pressure

InChI:InChI=1/C8H16O2/c1-6(2)5-8(9)10-7(3)4/h6-7H,5H2,1-4H3

Upstream product

• 539-66-2 sodium isovalerate 
• 93000-48-7 Methyltriisopropoxyphosphonium tetrafluoroborate 
• 201230-82-2 carbon monoxide 
• 67-63-0 isopropyl alcohol 
• 115-11-7 isobutene 
• 503-74-2 3-methylbutyric acid 
• 638-10-8 ethyl 3-methylbut-2-enoate 
• 75-65-0 tert-butyl alcohol 

Downstream Products

• 1583259-41-9 (2S,3S,4R)-isopropyl 5-(benzyloxy)-3-hydroxy-2-isopropyl-4-(2,2,6,6-tetramethylpiperidin-1-yloxy)pentanoate 

Relevant articles and documents

Palladium-Catalyzed Carbonylation of sec- and tert-Alcohols

A general palladium-catalyzed synthesis of linear esters directly from sec- and tert-alcohols is described. Compared to the classic Koch–Haaf reaction, which leads to branched products, this new transformation gives the corresponding linear esters in high yields and selectivity. Key for this protocol is the use of an advanced palladium catalyst system with L2 (pytbpx) as the ligand. A variety of aliphatic and benzylic alcohols can be directly used and the catalyst efficiency for the benchmark reaction is outstanding (turnover number up to 89 000).

A general and enantioselective approach to pentoses: A rapid synthesis of PSI-6130, the nucleoside core of sofosbuvir

An efficient route towards biologically relevant pentose derivatives is described. The de novo synthetic strategy features an enantioselective α-oxidation reaction enabled by a chiral amine in conjunction with copper(II) catalysis. A subsequent Mukaiyama aldol coupling allows for the incorporation of a wide array of modular two-carbon fragments. Lactone intermediates accessed via this route provide a useful platform for elaboration, as demonstrated by the preparation of a variety of C-nucleosides and fluorinated pentoses. Finally, this work has facilitated expedient syntheses of pharmaceutically active compounds currently in clinical use.

Structure-function correlation in lipase catalysed esterification reactions of short and medium carbon chain length alcohols and acids

An attempt has been made to correlate the carbon chain lengths of acids and alcohols to the extent of esterification in the Rhizomucor miehei lipase catalyzed esterification reactions involving acids of carbon chain length C2-C5 and alcohols of carbon chain length C1-C8.