2445-69-4

Basic information

• Product Name: METHYL-2-BUTYL-ISO-BUTYRATE
• Synonyms: 2-Methylbutyl isobutyrate;Isobutyric acid, 2-methylbutyl ester;Propanoic acid, 2-methyl-, 2-methylbutyl ester;METHYL-2-BUTYL-ISO-BUTYRATE;2-Methylpropanoic acid 2-methylbutyl ester;2-Methylbutyl 2-methylpropionate;Isoamyl isobutyrate;2-methylbutyl 2-methylpropanoate
• CAS NO: 2445-69-4
• Molecular Formula: C₉H₁₈O₂
• Molecular Weight: 158.24
• EINECS: 219-493-0
• Mol File: 2445-69-4.mol
• Article Data: 2

Chemical Properties

• Melting Point: -73°C (estimate)
• Boiling Point: 183.34°C (estimate)
• Flash Point: 50.5 ºC
• Appearance: /
• Density: 0.8809 (estimate)
• Vapor Pressure: 1.89mmHg at 25°C
• Refractive Index: 1.3845 (estimate)
• CAS DataBase Reference: METHYL-2-BUTYL-ISO-BUTYRATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL-2-BUTYL-ISO-BUTYRATE(2445-69-4)
• EPA Substance Registry System: METHYL-2-BUTYL-ISO-BUTYRATE(2445-69-4)

Safety Data

• Hazardous Substances Data: 2445-69-4(Hazardous Substances Data)

Usage

General Description

Methyl-2-butyl-iso-butyrate, also known as 2-methylbutyl 2-methylpropanoate, is a type of ester that is typically used as a synthesized flavoring or scent agent in various consumer products. METHYL-2-BUTYL-ISO-BUTYRATE has a fruity or wine-like aroma and may often be used in food, beverages, perfumes, and other aromatic items. Its chemical formula is C9H18O2 and it is classified under the family of Carboxylic acid esters. Despite its prevalent use in consumer goods, it's always advisable to handle it carefully since it can cause serious eye irritation and potentially harm aquatic life.

InChI:InChI=1/C9H18O2/c1-5-8(4)6-11-9(10)7(2)3/h7-8H,5-6H2,1-4H3

Upstream product

• 137-32-6 (+/-)-2-methyl-1-butanol 
• 79-30-1 isobutyryl chloride 
• 1565-80-6 (2S)-2-methyl-1-butanol 

Relevant articles and documents

Nematicidal activity of natural ester compounds and their analogues against pine wood nematode, bursaphelenchus xylophilus

In this study, we evaluated the nematicidal activity of natural ester compounds against the pine wood nematode, Bursaphelenchus xylophilus, to identify candidates for the development of novel, safe nematicides. We also tested the nematicidal activity of synthesized analogues of these ester compounds to determine the structure-activity relationship. Among 28 ester compounds tested, isobutyl 2-methylbutanoate, 3-methylbutyl 2-methylbutanoate, 3-methylbutyl tiglate, 3-methyl-2-butenyl 2- methylbutanoate, and pentyl 2-methylbutanoate showed strong nematicidal activity against the pine wood nematode at a 1 mg/ mL concentration. The other ester compounds showed weak nematicidal activity. The LC50 values of 3-methylbutyl tiglate, isobutyl 2-methylbutanoate, 3-methylbutyl 2-methylbutanoate, 3-methyl-2-butenyl 2-methylbutanoate, and pentyl 2- methylbutanoate were 0.0218, 0.0284, 0.0326, 0.0402, and 0.0480 mg/mL, respectively. The ester compounds described herein merit further study as potential nematicides for pine wood nematode control.