Isoamyl butyrate
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Isoamyl butyrate
structure -
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CAS No:
106-27-4
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Formula:
C9H18O2
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Chemical Name:
Isoamyl butyrate
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Synonyms:
Butanoic acid,3-methylbutyl ester;Butyric acid,isopentyl ester;Isopentyl alcohol,butyrate;Isoamyl butanoate;Isoamyl butyrate;Isopentyl butyrate;3-Methylbutyl butyrate;Isoamyl butylate;Isopentyl butanoate;3-Methylbutyl n-butyrate;3-Methylbutyl butanoate;Butyric acid 3-methylbutyl ester;NSC 6548;3-Methyl-1-butyl butanoate
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CAS No:
Description
Isoamyl butyrate has a fruity, apricot, pineapple, banana, strong, characteristic odor and a sweet, corresponding taste Isoamyl Butyrate is a liquid with strongly fruity odor that occurs, for example, in banana. It is used mainly in fruit flavors. CLEAR COLOURLESS LIQUIDChEBI: The butanoate ester of isoamylol.Isoamyl Butyrate is a chemical ester of butyrate. It is a kind of flavoring agent that widely used in the preparation of a variety of fruit juice flavor, such as apricots, banana
Liquid|Colourless liquid with a fruity odour
Isoamyl butyrate is the butanoate ester of isoamylol. It has a role as a metabolite. It derives from an isoamylol.
Characteristics
26.3
2.6
Liquid
0.860 g/cm3 @ Temp: 154 °C
-73.2 °C
179 °C
136 °F
n 20/D 1.411(lit.)
0.5g/l
Store below +30°C.
1.1 hPa (20 °C)
5.45 (vs air)
Reference value Abdominal cavity-Rat 2300 mg/kg
Combustible in case of open flame, high temperature, strong oxidant; burning emits irritating smoke
Safety Information
III
3
UN 3272 3/PG 3
1
36/37/38
26-36/37/39-24/25
ET5034000
Xi
Complete packaging, light loading and unloading; warehouse ventilated, away from open flame, high temperature, and stored separately from oxidant
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
H226
|Warning|H226 (98.67%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1802 companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Isoamyl butyrate Use and Manufacturing
Heteropolytungstic acid catalytic method: Add 0.121mol isoamyl alcohol and 0.1lmol butyric acid, 0.15g heteropolytungstic acid, 5mL benzene and zeolite to a 100mL flask, and reflux at 122~132°C for 1.5h to obtain the finished product, ester The conversion rate can reach 97.8%. In the sulfuric acid catalytic method, isoamyl alcohol, butyric acid and sulfuric acid are successively added to the reaction kettle, and heated to reflux for several hours. After cooling, it is neutralized with 10% NaOH solution, then washed with water to neutrality, and finally dried with anhydrous calcium chloride and then distilled under reduced pressure to obtain the product. C3H7COOH+(CH3)2CHCH2CH2OH[H2SO4]→C3H7COOCH2CH2CH(CH3)2+H2O
manufacture of artficial rum and fruit essences.
Air care products
< 25,000 lb
Butanoic acid, 3-methylbutyl ester: ACTIVE
EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues|Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents
Computed Properties
Molecular Weight:158.24
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:158.130679813
Monoisotopic Mass:158.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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