Isopropyl hexanoate
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Isopropyl hexanoate
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CAS No:
2311-46-8
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Formula:
C9H18O2
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Chemical Name:
Isopropyl hexanoate
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Synonyms:
Hexanoic acid,1-methylethyl ester;Hexanoic acid,isopropyl ester;Isopropyl hexanoate;Isopropyl caproate;Isopropyl n-hexanoate;Isopropyl capronate;1-Methylethyl hexanoate
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CAS No:
Description
Isopropyl hexanoate has a sweet, delicate, fruity odor of pineapple; fresh, sweet, berry-like taste
colourless liquid
Isopropyl hexanoate is a fatty acid ester.
Characteristics
26.30000
2.51830
colourless liquid
0.86
168 °C @ Press: 760 Torr
54 °C
1.416
almost insoluble in water; soluble in alcohol
1.09mmHg at 25°C
Safety Information
3
3272
3
R11:Highly Flammable. R36/37/38:Irritating to eyes, respiratory system and skin . R65:Harmful: May cause lung damage if swallowed.
S16-S62
MM1997800
F,Xn
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
H226
|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 1448 companies from 2 notifications to the ECHA C&L Inventory.
Isopropyl hexanoate Use and Manufacturing
It is obtained by esterification of azeotropic distillation with hexanoic acid and isopropanol in benzene solution in the presence of trace H2SO4.
Spices for food.
Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents
Computed Properties
Molecular Weight:158.24
XLogP3:2.8
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
Recommended Suppliers of Isopropyl hexanoate
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