72779-06-7

Basic information

• Product Name: 3-methyl-2-butenyl 3-methyl-2-butenoate
• Synonyms: 3-methyl-2-butenyl 3-methyl-2-butenoate;3-Methyl-2-butenoic acid 3-methyl-2-butenyl ester;prenyl senecioate
• CAS NO: 72779-06-7
• Molecular Formula: C₁₀H₁₆O₂
• Molecular Weight: 168.23284
• EINECS: 276-828-3
• Mol File: 72779-06-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 218.2°C at 760 mmHg
• Flash Point: 88.4°C
• Appearance: /
• Density: 0.914g/cm³
• Vapor Pressure: 0.127mmHg at 25°C
• Refractive Index: 1.455
• CAS DataBase Reference: 3-methyl-2-butenyl 3-methyl-2-butenoate(CAS DataBase Reference)
• NIST Chemistry Reference: 3-methyl-2-butenyl 3-methyl-2-butenoate(72779-06-7)
• EPA Substance Registry System: 3-methyl-2-butenyl 3-methyl-2-butenoate(72779-06-7)

Safety Data

• Hazardous Substances Data: 72779-06-7(Hazardous Substances Data)

Usage

General Description

3-methyl-2-butenyl 3-methyl-2-butenoate is a chemical compound with the molecular formula C7H12O2. It is an ester formed from the reaction of 3-methyl-2-butenol and 3-methyl-2-butenoyl chloride. 3-methyl-2-butenyl 3-methyl-2-butenoate is commonly used as a flavoring agent in food products and can be found in a variety of fruits and essential oils. It has a fruity, pear-like aroma and is often used to enhance the flavor of beverages, candies, and baked goods. Additionally, it is also used in the production of perfumes and fragrances due to its pleasant scent profile.

InChI:InChI=1/C10H16O2/c1-8(2)5-6-12-10(11)7-9(3)4/h5,7H,6H2,1-4H3

Upstream product

• 3350-78-5 3,3-Dimethylacryloyl chloride 
• 556-82-1 3-methyl-2-buten-1-ol 
• 541-47-9 3-Methylbutenoic acid 

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.