2035-99-6

Basic information

• Product Name: FEMA 2080
• Synonyms: Octanoicacid,3-methylbutylester;octanoicacid,isopentylester;ISOPENTYL N-OCTANOATE;ISOPENTYL OCTANOATE;ISOAMYL N-OCTANOATE;ISOAMYL OCTANOATE;ISOAMYL CAPRYLATE;FEMA 2080
• CAS NO: 2035-99-6
• Molecular Formula: C13H26O2
• Molecular Weight: 214.34
• EINECS: 218-004-8
• Mol File: 2035-99-6.mol

Chemical Properties

• Melting Point: -34.8°C (estimate)
• Boiling Point: 267-268 °C
• Flash Point: >230 °F
• Appearance: /
• Density: 0.861 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0236mmHg at 25°C
• Refractive Index: n20/D 1.426(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility: Soluble in water
• CAS DataBase Reference: FEMA 2080(CAS DataBase Reference)
• NIST Chemistry Reference: FEMA 2080(2035-99-6)
• EPA Substance Registry System: FEMA 2080(2035-99-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 2
• RTECS: RH0770000
• Hazardous Substances Data: 2035-99-6(Hazardous Substances Data)

Usage

Uses

Used in Food Industry:
FEMA 2080 is used as a flavoring agent for its sweet, fruity, waxy, and pineapple-like taste characteristics. It is commonly added to various food products to enhance their flavor and taste.
Used in Pharmaceutical Industry:
FEMA 2080 is used as a pharmaceutical ingredient due to its moisturizing and humectant properties. It is often used in the formulation of oral, topical, and rectal medications to improve their solubility and bioavailability.
Used in Cosmetics Industry:
FEMA 2080 is used as a key ingredient in the cosmetics industry for its moisturizing and humectant properties. It is commonly found in skincare products, such as lotions, creams, and lip balms, to provide hydration and maintain the skin's natural moisture balance.
Used in Personal Care Industry:
FEMA 2080 is used in personal care products, such as toothpaste, mouthwashes, and shampoos, for its humectant properties. It helps to maintain the product's consistency and provides a pleasant sensory experience for the user.
Used in Industrial Applications:
FEMA 2080 is used in various industrial applications, such as in the production of resins, plastics, and explosives, due to its versatile chemical properties and ability to act as a solvent.
Used in Energy Storage:
FEMA 2080 is used in the energy storage industry as a component in lithium-ion batteries, where it serves as an electrolyte to facilitate the flow of ions between the battery's electrodes.
Used in Biodiesel Production:
FEMA 2080 is used in the production of biodiesel as a co-solvent and emulsifier, improving the fuel's properties and reducing its viscosity.
Used in Textile Industry:
FEMA 2080 is used in the textile industry as a humectant and plasticizer, helping to maintain the flexibility and softness of fabrics during the manufacturing process.
Used in Tobacco Industry:
FEMA 2080 is used in the tobacco industry as a humectant to control the moisture content of tobacco products, ensuring their quality and stability.
Used in Animal Feed Industry:
FEMA 2080 is used in the animal feed industry as a humectant and carrier for various additives, improving the feed's consistency and nutritional value.
Used in Agricultural Industry:
FEMA 2080 is used in the agricultural industry as a component in fertilizers and soil conditioners, helping to improve soil structure and water retention.

Preparation

By esterification of octanoic acid with commercial isoamyl alcohols, which vary in isomer distribution according to source

InChI:InChI=1/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3

Upstream product

• 123-51-3 i-Amyl alcohol 
• 111-64-8 n-octanoic acid chloride 
• 124-07-2 Octanoic acid 

Relevant articles and documents

Characterization of aroma compounds of Chinese "Wuliangye" and "Jiannanchun" liquors by aroma extract dilution analysis

Aroma compounds in Chinese "Wuliangye" liquor were identified by gas chromatography-olfactometry (GC-O) after fractionation. A total of 132 odorants were detected by GC-O in Wuliangye liquor on DB-wax and DB-5 columns. Of these, 126 aromas were identified by GC-mass spectrometry (MS). Aroma extract dilution analysis (AEDA) was further employed to identify the most important aroma compounds in "Wuliangye" and "Jiannanchun" liquors. The results showed that esters could be the most important class, especially ethyl esters. Various alcohols, aldehydes, acetals, alkylpyrazines, furan derivatives, lactones, and sulfur-containing and phenolic compounds were also found to be important. On the basis of flavor dilution (FD) values, the most important aroma compounds in Wuliangye and Jiannanchun liquors could be ethyl butanoate, ethyl pentanoate, ethyl hexanoate, ethyl octanoate, butyl hexanoate, ethyl 3-methylbutanoate, hexanoic acid, and 1,1-diethoxy-3-methylbutane (FD ≥ 1024). These compounds contributed to fruity, floral, and apple- and pineapple-like aromas with the exception of hexanoic acid, which imparts a sweaty note. Several pyrazines, including 2,5-dimethyl-3-ethylpyrazine, 2-ethyl-6-methylpyrazine, 2,6-dimethylpyrazine, 2,3,5-tri-methylpyrazine, and 3,5-dimethyl-2-pentylpyrazine, were identified in these two liquors. Although further quantitative analysis is required, it seems that most of these pyrazine compounds had higher FD values in Wuliangye than in Jiannanchun liquor, thus imparting stronger nutty, baked, and roasted notes in Wuliangye liquor.