97-87-0

Basic information

• Product Name: Butyl isobutyrate
• Synonyms: N-BUTYL ISOBUTYRATE;N-BUTYL 2-METHYLPROPANOATE;2-methyl-propanoicacibutylester;2-methylpropanoicacidbutylester;Butyl ester of 2-methylpropanoic acid;Butyl isobutanoate;butylisobutanoate;Isobutyric acid, butyl ester
• CAS NO: 97-87-0
• Molecular Formula: C₈H₁₆O₂
• Molecular Weight: 144.21
• EINECS: 202-614-6
• Product Categories: ester Flavor;A-BFlavors and Fragrances;Alphabetical Listings;Certified Natural Products;Flavors and Fragrances;A-B
• Mol File: 97-87-0.mol
• Article Data: 18

Chemical Properties

• Melting Point: -88.07°C (estimate)
• Boiling Point: 155-156 °C(lit.)
• Flash Point: 110 °F
• Appearance: colorless liquid
• Density: 0.862 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0275mmHg at 25°C
• Refractive Index: n20/D 1.401(lit.)
• CAS DataBase Reference: Butyl isobutyrate(CAS DataBase Reference)
• NIST Chemistry Reference: Butyl isobutyrate(97-87-0)
• EPA Substance Registry System: Butyl isobutyrate(97-87-0)

Safety Data

• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 26
• RIDADR: UN 3272 3/PG 3
• WGK Germany: 2
• RTECS: UA2466945
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 97-87-0(Hazardous Substances Data)

Usage

Description

Butyl isobutyrate is an organic compound with a strong, fresh, fruity odor and a sweet, pineapple-like taste. It is commonly found in various fruits and essential oils, such as Roman chamomile, papaya, quince, apple, honey, apricot, banana, and cheeses.

Uses

Used in Flavor Industry:
Butyl isobutyrate is used as a flavoring agent for its fruity, sweet taste and aroma, which is reminiscent of pineapple, apple, and banana. It is commonly used in food and beverage products to enhance their flavor and aroma.
Used in Fragrance Industry:
Butyl isobutyrate is used as a fragrance ingredient due to its strong, fresh, fruity odor. It is often used in perfumes, colognes, and other scented products to provide a pleasant and appealing scent.
Used in Essential Oils:
Butyl isobutyrate is found in various essential oils, such as Roman chamomile essential oil, where it contributes to the overall aroma and therapeutic properties of the oil. It is used in aromatherapy for its calming and soothing effects.
Used in Cosmetics and Personal Care Products:
Butyl isobutyrate is used in cosmetics and personal care products, such as lotions, creams, and shampoos, to provide a pleasant scent and enhance the overall sensory experience of using these products.

Preparation

Prepared from the corresponding acid and n-butyl alcohol by esterification in the presence of concentrated H2SO4 with or without solvent (boiling benzene).

InChI:InChI=1/C8H16O2/c1-4-5-6-8(2,3)7(9)10/h4-6H2,1-3H3,(H,9,10)/p-1

Upstream product

• 13112-62-4 iso-butyraldehyde di-n-butyl acetal 
• 563-83-7 ISOPROPYLAMIDE 
• 71-36-3 butan-1-ol 
• 79-30-1 isobutyryl chloride 
• 97-72-3 2-Methylpropionic anhydride 
• 109-69-3 n-Butyl chloride 
• 1286216-53-2 1-ethyl-3-methylimidazolium isobutyrate 
• 97-88-1 2-methyl-butyl acrylate 
• 129-00-0 pyrene 
• 109-65-9 1-bromo-butane 
• 79-31-2 isobutyric Acid 
• 123-72-8 butyraldehyde 
• 78-84-2 isobutyraldehyde 
• 20266-11-9 1-(1-Isobutoxy-2-methyl-propoxy)-butane 

Downstream Products

• 135-98-8 sec-Butylbenzene 
• 96240-10-7 4-amino-3-isopropyl-1H-1,2,4-triazol-5-(4H)-one 
• 60277-69-2 butyl 2-bromo-2-methylpropanoate 
• 94041-88-0 methyl (E)-2,2-dimethyl-4-phenyl-3-buten-1-oate 
• 1258239-44-9 3-(2-chloro-phenyl)-2-methyl-propionic acid butyl ester 
• 778-28-9 butyl para-toluenesulfonate 

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