140-26-1

Basic information

• Product Name: FEMA 2871
• Synonyms: isovalericacid,phenethylester;Phenethyl3-methylbutyrate;Phenyl ethyl 3-methyl-butanoate;PHENYLETHYL ISOPENTANOATE;PHENYLETHYL ISOVALERATE;PHENETHYL ISOVALERATE;PHENYLETHYL ISO VALERATE FCC;PHENETHYL ISOVALERATE 98+% FCC
• CAS NO: 140-26-1
• Molecular Formula: C₁₃H₁₈O₂
• Molecular Weight: 206.28
• EINECS: 205-406-3
• Mol File: 140-26-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 268 °C(lit.)
• Flash Point: >230 °F
• Appearance: Clear colourless liquid
• Density: 0.974 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.943Pa at 25℃
• Refractive Index: n20/D 1.485(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility: Insoluble in water
• CAS DataBase Reference: FEMA 2871(CAS DataBase Reference)
• NIST Chemistry Reference: FEMA 2871(140-26-1)
• EPA Substance Registry System: FEMA 2871(140-26-1)

Safety Data

• Safety Statements: 24/25
• WGK Germany: 1
• RTECS: NY1511500
• Hazardous Substances Data: 140-26-1(Hazardous Substances Data)

Usage

Description

FEMA 2871, also known as Phenethyl isovalerate, is a volatile aroma compound with a fruity (rose-like) odor and a bittersweet flavor, reminiscent of peach. It is a clear colorless liquid that has been identified as a component of peppermint oils and is found in various natural sources such as peppermint oil, spearmint oil, Scotch spearmint oil, beer, grape brandy, cognac, cider, and lamb's lettuce. FEMA 2871 has a taste threshold value of 2 to 10 ppm, with a sweet, fruity, ripe pineapple taste with honey, berry, and peachy nuances.

Uses

Used in Flavor Industry:
FEMA 2871 is used as a flavoring agent for its sweet, fruity, and peachy taste characteristics. It is used in small quantities for the same purposes as phenylethyl isobutyrate.
Used in Fragrance Industry:
FEMA 2871 is used as a fragrance ingredient for its fruity (rose-like) odor, providing a pleasant and distinct scent to various products.
Used in Aromatherapy:
FEMA 2871 can be used in aromatherapy for its calming and uplifting effects due to its sweet and fruity aroma.
Used in Cosmetics and Personal Care Products:
FEMA 2871 can be used in cosmetics and personal care products for its pleasant scent and flavor, enhancing the sensory experience of these products.
Used in Food and Beverage Industry:
FEMA 2871 can be used in the food and beverage industry as a flavor enhancer and aroma component, adding a fruity and peachy note to various products.

Preparation

By esterification of phenethyl alcohol with isovaleric acid.

Flammability and Explosibility

Nonflammable

Safety Profile

Mddly toxic by ingestion. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS

Upstream product

• 60-12-8 2-phenylethanol 
• 108-12-3 isopentanoyl chloride 
• 503-74-2 3-methylbutyric acid 
• 103-63-9 1-phenyl-2-bromoethane 
• 71-43-2 benzene 

Relevant articles and documents

Odor-structure relationships using fluorine as a probe

Eight ethers, nine esters and one ketone were submitted to a systematic structural variation by replacing a hydrogen atom in the vicinity of the oxofunction by fluorine and methyl. As long as steric factors dominate, a fluorine substituent alters the olfactory properties of the parent compound much less than a methyl substituent does. However, if it occupies a position adjacent to a carbonyl group, the halogen may more profoundly affect the odor perception, presumably as a consequence of conformational changes. (C) 2000 Elsevier Science Ltd.