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
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 | n |
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) |
Flame Flammables GHS02 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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