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HomeProduct name listButyl isobutyrate

Butyl isobutyrate

Synonym(s):Butyl 2-methylpropanoate;Butyl isobutanoate

  • CAS NO.:97-87-0
  • Empirical Formula: C8H16O2
  • Molecular Weight: 144.21
  • MDL number: MFCD00048773
  • EINECS: 202-614-6
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-06-15 22:11:33
Butyl isobutyrate Structural

What is Butyl isobutyrate?

Chemical properties

Butyl isobutyrate is a colorless liquid, almost insoluble in water, miscible with alcohol and oils. Sp.Gr. 0.862. B.P. 156℃.  Butyl isobutyrate has a strong, fresh, fruity odor (apple, banana) and sweet, pineapple-like taste.

Occurrence

Reported present in Roman chamomile essential oil, papaya, quince, apple, honey, apricot, banana and cheeses.

The Uses of Butyl isobutyrate

Butyl isobutyrate is used in flavor compositions for imitation Apple, Apricot, Banana, Arak, Butter, Cherry, Ginger, Gooseberry, Hop, Melon, Blackberry, Orange, Peach, Pineapple, Raspberry, Strawberry, Tangerine, etc. Concentrations in the finished product are normally about 40 ppm, except in chewing gum - up to 2000 ppm, (Juicy-fruit and Tuttifrutti type of flavors for chewing gum).

Preparation

Prepared from the corresponding acid and n-butyl alcohol by esterification in the presence of concentrated H2SO4 with or without solvent (boiling benzene). Or Butyl isobutyrate is formed by direct esterificalion of n-Butyl alcohol with iso-Butyric acid under azeotropic conditions.

Definition

ChEBI: Butylisobutyrate is a carboxylic ester.

Aroma threshold values

Detection: 80 to 170 ppb

Taste threshold values

Taste characteristics at 30 ppm: fruity, sweet, pineapple, apple, cherry, tutti-frutti, banana.

Properties of Butyl isobutyrate

Melting point: -88.07°C (estimate)
Boiling point: 155-156 °C(lit.)
Density  0.862 g/mL at 25 °C(lit.)
refractive index  n20/D 1.401(lit.)
FEMA  2188 | BUTYL ISOBUTYRATE
Flash point: 110 °F
form  clear liquid
color  Colorless to Almost colorless
Odor at 100.00 %. sweet fruity green tropical apple banana
Odor Threshold 0.022ppm
JECFA Number 188
CAS DataBase Reference 97-87-0(CAS DataBase Reference)
NIST Chemistry Reference Propanoic acid, 2-methyl-, butyl ester(97-87-0)
EPA Substance Registry System Propanoic acid, 2-methyl-, butyl ester (97-87-0)

Safety information for Butyl isobutyrate

Signal word Warning
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226:Flammable liquids
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for Butyl isobutyrate

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