35205-70-0

Basic information

• Product Name: (E)-3-Methyl-2-hexenoic acid
• Synonyms: (E)-3-Methyl-2-hexenoic acid
• CAS NO: 35205-70-0
• Molecular Formula: C₇H₁₂O₂
• Molecular Weight: 128.16898
• Mol File: 35205-70-0.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 225.2°C at 760 mmHg
• Flash Point: 132°C
• Appearance: /
• Density: 0.97g/cm³
• Vapor Pressure: 0.0319mmHg at 25°C
• Refractive Index: 1.456
• CAS DataBase Reference: (E)-3-Methyl-2-hexenoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-3-Methyl-2-hexenoic acid(35205-70-0)
• EPA Substance Registry System: (E)-3-Methyl-2-hexenoic acid(35205-70-0)

Safety Data

• Hazardous Substances Data: 35205-70-0(Hazardous Substances Data)

Usage

General Description

(E)-3-Methyl-2-hexenoic acid is a chemical compound with the molecular formula C7H12O2. It is a colorless liquid with a fruity and sour odor and is commonly used in the food and fragrance industries. (E)-3-Methyl-2-hexenoic acid is typically found in natural sources such as certain fruits, cheese, and dairy products. It also has applications in the production of artificial flavors and fragrances, as well as in the synthesis of pharmaceuticals. In addition, (E)-3-Methyl-2-hexenoic acid has been studied for its potential antimicrobial and anti-inflammatory properties, making it a compound of interest in the field of medicinal chemistry and biotechnology.

InChI:InChI=1/C7H12O2/c1-3-4-6(2)5-7(8)9/h5H,3-4H2,1-2H3,(H,8,9)/b6-5+

Upstream product

• 77488-75-6 (E)-3-methylhex-2-enenitrile 
• 107-87-9 2-Pentanone 
• 105-36-2 ethyl bromoacetate 
• 15677-00-6 ethyl 3-methylhex-2-enoate 
• 58888-76-9 3-hydroxy-3-methyl-hexanoic acid 

Downstream Products

• 144-62-7 oxalic acid 
• 107-87-9 2-Pentanone 
• 92036-21-0 3-methyl-5-phenyl-hexanoic acid 

Relevant articles and documents

Derivatives of Natural Product Agrimophol as Disruptors of Intrabacterial pH Homeostasis in Mycobacterium tuberculosis

This article reports the rational medicinal chemistry of a natural product, agrimophol (1), as a new disruptor of intrabacterial pH (pHIB) homeostasis in Mycobacterium tuberculosis (Mtb). Through the systematic investigation of the structure-activity relationship of 1, scaffold-hopping of the diphenylmethane scaffold, pharmacophore displacement strategies, and studies of the structure-metabolism relationship, a new derivative 5a was achieved. Compound 5a showed 100-fold increased potency in the ability to reduce pHIB to pH 6.0 and similarly improved mycobactericidal activity compared with 1 against both Mycobacterium bovis-BCG and Mtb. Compound 5a possessed improved metabolic stability in human liver microsomes and hepatocytes, lower cytotoxicity, higher selectivity index, and similar pKa value to natural 1. This study introduces a novel scaffold to an old drug, resulting in improved mycobactericidal activity through decreasing pHIB, and may contribute to the critical search for new agents to overcome drug resistance and persistence in the treatment of tuberculosis.