56014-69-8

Basic information

• Product Name: (E)-3-isobutylidenephthalide
• Synonyms: (E)-3-isobutylidenephthalide;(E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone;1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3E)-;2-Methylpropylidenephthalide (E);Einecs 259-944-9
• CAS NO: 56014-69-8
• Molecular Formula: C₁₂H₁₂O₂
• Molecular Weight: 188.22248
• EINECS: 259-944-9
• Mol File: 56014-69-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 304.7°C at 760 mmHg
• Flash Point: 124.4°C
• Appearance: /
• Density: 1.201g/cm³
• Vapor Pressure: 0.000861mmHg at 25°C
• Refractive Index: 1.628
• CAS DataBase Reference: (E)-3-isobutylidenephthalide(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-3-isobutylidenephthalide(56014-69-8)
• EPA Substance Registry System: (E)-3-isobutylidenephthalide(56014-69-8)

Safety Data

• Hazardous Substances Data: 56014-69-8(Hazardous Substances Data)

Usage

Description

(E)-3-isobutylidenephthalide is a natural compound derived from various plant species, such as angelica and lovage. It is characterized by its pleasant aroma and taste, making it a popular choice as a flavoring agent in the food and beverage industry. Beyond its sensory appeal, this compound has also shown promising pharmacological activities, including anti-inflammatory and neuroprotective properties. Furthermore, research into its potential anti-cancer effects suggests that (E)-3-isobutylidenephthalide may have significant applications in the field of cancer treatment, contributing to its wide range of potential uses.

Uses

Used in Flavoring Industry:
(E)-3-isobutylidenephthalide is used as a flavoring agent for its pleasant aroma and taste, enhancing the sensory experience of various food and beverage products.
Used in Pharmaceutical Applications:
(E)-3-isobutylidenephthalide is used as a potential therapeutic agent for its demonstrated anti-inflammatory and neuroprotective properties, offering potential health benefits beyond its sensory appeal.
Used in Cancer Treatment Research:
(E)-3-isobutylidenephthalide is used as a subject of study for its potential anti-cancer effects, with the aim of developing new cancer treatment strategies based on its pharmacological properties.

InChI:InChI=1/C12H12O2/c1-8(2)7-11-9-5-3-4-6-10(9)12(13)14-11/h3-8H,1-2H3

Upstream product

• 129780-67-2 3-(8-iodoisobutyl)phthalide 
• 61260-15-9 dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate 
• 78-84-2 isobutyraldehyde 
• 129780-55-8 2-(isopent-1'-enyl)benzoic acid 
• 119-67-5 o-carboxybenzaldehyde 

Relevant articles and documents

WITTIG-HORNER REACTION OF DIMETHYL PHTHALIDE-3-PHOSPHONATES WITH ALDEHYDES: SYNTHESIS OF 3-YLIDENEPHTHALIDES AND CHRACTERIZATION OF THEIR E- AND Z-ISOMERS

Wittig-Horner reaction of dimethyl phthalide-3-phosphonates with aldehydes in the presence of lithium bis(trimethylsilyl)amide was investigated.Using their NOE experiments, both the E- and Z-isomers of 3-ylidenephthalides were clearly characterized.