62006-39-7

Basic information

• Product Name: 3-N-butyl-4,5-dihydrophthalide
• Synonyms: 3-N-butyl-4,5-dihydrophthalide;3-butyl-4,5-dihydro-3H-isobenzofuran-1-one;Senkyunolide A (=3-butyl-4,5-dihydro-3H-2-benzofuran-1-one);(3S)-3-butyl-4,5-dihydro-3H-isobenzofuran-1-one
• CAS NO: 62006-39-7
• Molecular Formula: C12H16O2
• Molecular Weight: 192.2542
• Product Categories: chemical reagent;pharmaceutical intermediate;phytochemical;reference standards from Chinese medicinal herbs (TCM).;standardized herbal extract
• Mol File: 62006-39-7.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 368.1 °C at 760 mmHg
• Flash Point: 154.2 °C
• Appearance: /
• Density: 1.07 g/cm³
• Vapor Pressure: 1.3E-05mmHg at 25°C
• Refractive Index: 1.521
• CAS DataBase Reference: 3-N-butyl-4,5-dihydrophthalide(CAS DataBase Reference)
• NIST Chemistry Reference: 3-N-butyl-4,5-dihydrophthalide(62006-39-7)
• EPA Substance Registry System: 3-N-butyl-4,5-dihydrophthalide(62006-39-7)

Safety Data

• Hazardous Substances Data: 62006-39-7(Hazardous Substances Data)

Usage

General Description

3-N-butyl-4,5-dihydrophthalide is a chemical compound also known as carvone or dihydrocarvone. It is derived from caraway and dill essential oils and is commonly used as a flavoring agent in food and beverages. It has a sweet, minty, and spicy aroma and is often used in the production of perfumes and cosmetics, as well as in the pharmaceutical industry. It also has potential therapeutic properties and has been studied for its antifungal, antibacterial, and antioxidant effects. Additionally, 3-N-butyl-4,5-dihydrophthalide has been investigated for its potential use in the treatment of neurological disorders and as an insect repellent.

InChI:InChI=1/C12H16O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7,11H,2-4,6,8H2,1H3

Upstream product

• 1020260-45-0 1-ethynylpentyl 2,4-pentadienoate 
• 626-99-3 1,3-butadiene-1-carboxylic acid 
• 117005-27-3 senkyunolide P 
• 1020260-46-1 (S)-(-)-1-ethynylpentyl 2,4-pentadienoate 
• 1020260-47-2 (R)-(+)-1-ethynylpentyl 2,4-pentadienoate 

Downstream Products

• 153609-99-5 senkyunolide-J 
• 140694-58-2 Senkyunolide N 

Relevant articles and documents

PHTHALIDE DIMERS FROM LIGUSTICUM CHUANGXIONG Hort.

Two new phthalide dimers, senkyunolide O (1) and senkyunolide P (2), along with three known phthalide dimers were isolated from the rhizome of Ligusticum chuangxiong Hort.On the basis of spectral analyses and chemical methods, the structures of these compounds were determined.

Asymmetric synthesis and sensory evaluation of sedanenolide

The synthesis and sensory evaluation of enantiomeric sets of sedanenolide (1) and 3-butylphthalide (3) are described. The asymmetric synthesis was achieved via the intramolecular Diels-Alder reaction of chiral propargylester (5) which was prepared from optically active propargyl alcohol (4) and 2,4-pentadienoic acid. The sensory evaluation of these enantiomers revealed that there were distinct differences between their aroma character and odor threshold.