39900-11-3

Basic information

• Product Name: 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)butane-1,3-dione
• Synonyms: 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)butane-1,3-dione;1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1,3-butanedione
• CAS NO: 39900-11-3
• Molecular Formula: C₁₃H₂₀O₂
• Molecular Weight: 208.2967
• EINECS: 254-691-0
• Mol File: 39900-11-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 288.6°C at 760 mmHg
• Flash Point: 107.5°C
• Appearance: /
• Density: 0.957g/cm³
• Vapor Pressure: 0.00231mmHg at 25°C
• Refractive Index: 1.461
• CAS DataBase Reference: 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)butane-1,3-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)butane-1,3-dione(39900-11-3)
• EPA Substance Registry System: 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)butane-1,3-dione(39900-11-3)

Safety Data

• Hazardous Substances Data: 39900-11-3(Hazardous Substances Data)

Usage

Description

1-(2,6,6-trimethyl-2-cyclohexen-1-yl)butane-1,3-dione, commonly known as Ionone, is a chemical compound characterized by its floral, woody, and violet-like scent. It is a naturally occurring ketone found in various essential oils such as rose oil, violet oil, and orris oil. Ionone is often synthesized for commercial purposes and exhibits a yellow to orange color in its pure form. It is widely recognized for its safety in the cosmetics industry and is regulated by government agencies to ensure consumer safety.

Uses

Used in Fragrance Industry:
Ionone is used as a fragrance ingredient for its distinct floral, woody, and violet-like scent. It is a key component in the formulation of perfumes, soaps, and cosmetics, adding a pleasant and captivating aroma to these products.
Used in Cosmetics Industry:
In the cosmetics industry, Ionone is utilized as a scent enhancer and fixative, helping to improve the overall fragrance profile of various products. Its natural occurrence and safety make it a preferred choice for use in the formulation of cosmetics.
Used in Perfumery:
Ionone plays a significant role in the perfumery industry, where it is employed to create complex and long-lasting scents. Its ability to mimic the aroma of natural flowers and woods makes it a valuable addition to perfume compositions.
Used in Flavor Industry:
Although not explicitly mentioned in the provided materials, Ionone is also used in the flavor industry to impart a woody, floral, or violet-like taste to various products, such as beverages, candies, and tobacco.

InChI:InChI=1/C13H20O2/c1-9-6-5-7-13(3,4)12(9)11(15)8-10(2)14/h6,12H,5,7-8H2,1-4H3

Upstream product

• 25915-53-1 2,6,6-trimethyl-3-cyclohexenyl methyl ketone 

Downstream Products

• 57549-92-5 ⁽²⁾-1-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-1-one 
• 39900-15-7 (+/-)-3-hydroxy-1-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-1-one 
• 39900-21-5 2,6,6-Trimethyl-1-[1,3-dihydroxy-but-1-yl]-cyclohex-2-ene 

Relevant articles and documents

1 - (2, 6, 6 - trimethyl - cyclohexenyl) - 2 - butene - 1 - ketone

The invention provides a 1-(2,6,6-trimethyl-cyclohexenyl)-2-buten-1-one preparation method, which comprises that 1-(2,6,6-trimethyl-3-cyclohexenyl)-1,3-butanedione is subjected to isomerization to obtained an isomerized product; and the isomerized product reacts to obtain 1-(2,6,6-trimethyl-cyclohexenyl)-2-buten-1-one, wherein the 1-(2,6,6-trimethyl-cyclohexenyl)-2-buten-1-one comprises 1-(2,6,6-trimethyl-cyclohex-1-enyl)-2-buten-1-one and 1-(2,6,6-trimethyl-cyclohex-2-enyl)-2-buten-1-one. According to the present invention, the 1-(2,6,6-trimethyl-3-cyclohexenyl)-1,3-butanedione is adopted as the raw material, such that the oxidation of the alcohol into the ketone is avoided compared with the prior art, and the environmental pollution is low; and the route is simple, and the scale production is easily achieved.