5452-07-3

Basic information

• Product Name: FEMA 2899
• Synonyms: Butanoic acid, 3-methyl-, 3-phenylpropyl ester;Isovaleric acid, 3-phenylpropyl ester;FEMA 2899;3-PHENYLPROPYL ISOVALERATE;PHENYL-3-PROPYL-ISO-VALERATE;3-PHENYLPROPYL ISOVALERATE 99+%;3-Phenylpropyl-β-methylbutyrate, Hydrocinnamyl isovalerate;3-Methylbutanoic acid 3-phenylpropyl ester
• CAS NO: 5452-07-3
• Molecular Formula: C₁₄H₂₀O₂
• Molecular Weight: 234.33
• EINECS: 226-692-6
• Mol File: 5452-07-3.mol

Chemical Properties

• Boiling Point: 285 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 0.98 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.000682mmHg at 25°C
• Refractive Index: n20/D 1.484(lit.)
• CAS DataBase Reference: FEMA 2899(CAS DataBase Reference)
• NIST Chemistry Reference: FEMA 2899(5452-07-3)
• EPA Substance Registry System: FEMA 2899(5452-07-3)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 5452-07-3(Hazardous Substances Data)

Usage

Uses

Used in Flavor Industry:
FEMA 2899 is used as a flavoring agent for its complex, fruity taste and aroma. It is particularly suitable for enhancing the flavor of various food products, such as beverages, confectionery, and baked goods, by adding a sweet, jam-like, and nutty note.
Used in Fragrance Industry:
In the fragrance industry, FEMA 2899 is used as a component in the creation of perfumes and other scented products. Its fruity and plum-like undertones make it an ideal addition to fragrances, providing a unique and pleasant scent that can be used in a variety of applications, such as personal care products, home fragrances, and air fresheners.
Used in Cosmetics and Personal Care Products:
FEMA 2899 is also utilized in the cosmetics and personal care industry to add a pleasant and unique scent to products like lotions, creams, and shampoos. Its fruity and nutty undertones can enhance the sensory experience of using these products, making them more appealing to consumers.

Preparation

May be prepared by esterification of phenylpropyl alcohol with isovaleric acid.

InChI:InChI=1/C14H20O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3

Upstream product

• 122-97-4 3-Phenyl-1-propanol 
• 590-86-3 isovaleraldehyde 
• 14629-60-8 trimethyl(3-phenylpropoxy)silane 
• 55557-13-6 3-methylbutyric acid trimethylsilyl ester 

Relevant articles and documents

Transition-Metal-Free Poly(thiazolium) Iodide/1,8-Diazabicyclo[5.4.0]undec-7-ene/Phenazine-Catalyzed Esterification of Aldehydes with Alcohols

Poly(3,4-dimethyl-5-vinylthiazolium) iodide was used as a polymer precatalyst in the presence of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) and phenazine for the oxidative esterification of aldehydes with alcohols. Selective functionalization of OH groups was achieved in the presence of NH2 groups. The poly(thiazolium) iodide/DBU/phenazine system exhibited excellent catalytic activity and could be reused five times without loss of activity.

A New and Efficient Esterification Reaction via Mixed Anhydrides by the Promotion of a Catalytic Amount of Lewis Acid

In the presence of a catalytic amount of Lewis acid, various carboxylic esters or S-phenyl carbothioates are prepared in excellent yields by the respective reactions of equimolar amounts of silyl carboxylates and alkyl silyl ethers or phenyl silyl sulfides with 4-trifluoromethylbenzoic anhydride.

An Efficient Method for the Preparation of Carboxylic Esters via Mixed Anhydrides by the Promotion of a Catalytic Amount of Lewis Acid

Various carboxylic esters are prepared in excellent yields by the reaction of nearly equimolar amounts of silyl derivatives of carboxylic acids and alcohols with p-trifluoromethylbenzoic anhydride in the presence of a catalytic amount of Lewis acid.