Isobutyl butyrate
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Isobutyl butyrate
structure -
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CAS No:
539-90-2
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Formula:
C8H16O2
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Chemical Name:
Isobutyl butyrate
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Synonyms:
Butanoic acid,2-methylpropyl ester;Butyric acid,isobutyl ester;Isobutyl butyrate;2-Methylpropyl butyrate;Isobutyl n-butyrate;Isobutyl butanoate;2-Methylpropyl butanoate;NSC 406938
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CAS No:
Description
Isobutyl butyrate has a fruity, ethereal odor reminiscent of apple or pineapple and a sweet flavor reminiscent of rum.
colourless liquid with a sweet, fruity, apple-like, pineapple-like odour
Isobutyl butyrate is a butyrate ester resulting from the formal condensation of butanoic acid with isobutanol. It is used as a food flavour ingredient for apple, banana, peach and pinapple flavours in ice cream and confectionery. It has a role as a metabolite and a flavouring agent. It derives from an isobutanol.
Characteristics
26.3
2.65
colourless liquid with a sweet, fruity, apple-like, pineapple-like odour
0.9±0.1 g/cm3
-88.07°C (estimate)
156.9 °C
114 °F
1.411
soluble in most fixed oils; slightly soluble in water; insoluble in glycerol
5 (vs air)
Oral-rat LD50: 5000 mg/kg
Thermal decomposition emits toxic and spicy irritating smoke
Safety Information
III
3.2
UN 3272 3/PG 3
2
10-50/53-52/53
16-27-36/37/39-61-60
ET5020000
N
The warehouse is low-temperature, ventilated and dry
P273
H226-H412
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1507 companies from 2 notifications to the ECHA C&L Inventory.
Isobutyl butyrate Use and Manufacturing
It is formed by esterification of butyric acid and isobutanol in the presence of concentrated sulfuric acid. Under anhydrous conditions, it is obtained by enzymatic synthesis of a mixture of isobutanol and butyric acid from pig pancreas.
GB 276011996 stipulates the allowable food flavors. Mainly used to prepare peach, apricot and berry flavors.
Butanoic acid, 2-methylpropyl ester: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents
Computed Properties
Molecular Weight:144.21
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:144.115029749
Monoisotopic Mass:144.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:97.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of Isobutyl butyrate
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Business licensedTrader Supplier of Pharmaceutical intermediatesInquiryUnit Price: $1 /KG EXWCAS No.: 539-90-2Grade: Industrial GradeContent: 99%
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