42078-65-9

Basic information

• Product Name: FEMA 2869
• Synonyms: PHENYLETHYL-SENECIOATE;2-Butenoicacid,3-methyl-,2-phenylethylester;3-methyl-2-butenoicaci2-phenylethylester;FEMA 2869;phenethyl 3-methylbut-2-enoate;2-PHENYLETHYL-3-METHYLCROTANOATE;2-Phenethyl senecioate;3-Methyl-2-butenoic acid 2-phenylethyl ester
• CAS NO: 42078-65-9
• Molecular Formula: C₁₃H₁₆O₂
• Molecular Weight: 204.26
• EINECS: 255-649-4
• Mol File: 42078-65-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 306.3 °C at 760 mmHg
• Flash Point: 167.8 °C
• Appearance: /
• Density: 1.012 g/cm³
• Vapor Pressure: 0.000776mmHg at 25°C
• Refractive Index: 1.513
• CAS DataBase Reference: FEMA 2869(CAS DataBase Reference)
• NIST Chemistry Reference: FEMA 2869(42078-65-9)
• EPA Substance Registry System: FEMA 2869(42078-65-9)

Safety Data

• Hazardous Substances Data: 42078-65-9(Hazardous Substances Data)

Usage

Description

FEMA 2869, also known as Phenethyl senecioate, is a chemical compound with a mild, deep-sweet odor and a sweet, winy, deep, fruity flavor. It is derived from the Senecio plant and is used in various applications across different industries due to its unique properties.

Uses

Used in Flavor and Fragrance Industry:
FEMA 2869 is used as a flavoring agent for its sweet, winy, deep, and fruity taste. It is commonly utilized in the creation of various food and beverage products to enhance their flavor profiles.
FEMA 2869 is also used as a fragrance ingredient for its mild, deep-sweet, herbaceous, and winey odor. It is often incorporated into perfumes, colognes, and other scented products to provide a unique and pleasant aroma.
Used in Pharmaceutical Industry:
FEMA 2869 has potential applications in the pharmaceutical industry due to its chemical properties. It can be used in the development of new drugs or as an additive in existing medications to improve their taste and make them more palatable for patients.
Used in Cosmetics Industry:
In the cosmetics industry, FEMA 2869 can be used as a flavoring agent in oral care products, such as mouthwashes and toothpastes, to provide a pleasant taste. Additionally, its unique odor can be utilized in the formulation of scented cosmetics, like lotions and creams, to enhance their overall sensory experience.

Preparation

By esterification of phenethyl alcohol with 3-methylcrotonic acid.

InChI:InChI=1/C13H16O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3

Upstream product

• 541-47-9 3-Methylbutenoic acid 
• 103-63-9 1-phenyl-2-bromoethane 
• 50638-95-4 [2-(3-methylbut-2-enyloxy)ethyl]benzene 
• 3350-78-5 3,3-Dimethylacryloyl chloride 
• 60-12-8 2-phenylethanol 
• 22096-25-9 sodium phenethylate 
• 870-63-3 prenyl bromide 

Downstream Products

• 1027514-60-8 C₁₉H₃₁⁽²⁾HO₄Si 

Relevant articles and documents

Synthesis of cyclic peroxides by chemo- and regioselective peroxidation of dienes with Co(II)/O2/Et3SiH

(Chemical Equation Presented). In the competitive peroxidation of mixtures of two alkenes with Co(II)/O2/Et3SiH, it was found that the relative reactivities of the alkene substrates are influenced by three major factors:. (1) relative stability of the intermediate carbon-centered radical formed by the reaction of the alkene with HCo(III) complex, (2) steric effects around the C=C double bond, and (3) electronic factors associated with the C=C double bond. Consistent with results from simple alkenes, the chemo-and regioselective peroxidation of dienes was also realized. Depending on the diene structure, the product included not only the expected acyclic unsaturated triethylsilyl peroxides but also 1,2-dioxolane and 1,2-dioxane derivatives via intramolecular cyclization of the unsaturated peroxy radical intermediates.