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

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

Uses

Used in Food Industry:
(E)-3-Methyl-2-hexenoic acid is used as a flavoring agent for imparting a fruity and sour taste to food products, enhancing their overall flavor profile.
Used in Fragrance Industry:
(E)-3-Methyl-2-hexenoic acid is used as a fragrance ingredient to add a pleasant and natural scent to various products, such as perfumes, soaps, and cosmetics.
Used in Artificial Flavors and Fragrances Production:
(E)-3-Methyl-2-hexenoic acid is used as a key component in the synthesis of artificial flavors and fragrances, providing a wide range of fruity and sour notes to various products.
Used in Pharmaceutical Synthesis:
(E)-3-Methyl-2-hexenoic acid is used as a building block in the production of pharmaceuticals, contributing to the development of new drugs with potential therapeutic applications.
Used in Medicinal Chemistry and Biotechnology:
(E)-3-Methyl-2-hexenoic acid is studied for its potential antimicrobial and anti-inflammatory properties, making it a compound of interest for the development of new treatments 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 
• 58888-76-9 3-hydroxy-3-methyl-hexanoic acid 
• 15677-00-6 ethyl 3-methylhex-2-enoate 

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.

Novel diphenylmethyl compounds having mycobacterium tuberculosis inhibitory activity

The invention relates to novel diphenylmethyl derivatives having mycobacterium tuberculosis inhibitory activity and a preparation method thereof and particularly relates novel diphenylmethyl derivatives having activity for inhibiting replicative and non-replicating mycobacterium tuberculosis and a preparation method thereof. In particular, the invention relates to compounds shown in the formula (I) or all possible isomers, prodrugs, pharmaceutically acceptable salts, solvates or hydrates thereof, wherein the variables are as described in the specification. The invention also relates to the preparation method of the compounds and their pharmaceutical compositions and a use of the compounds in preparation of drugs for treating mycobacterium tuberculosis infection-caused diseases.