Cyclohexyl isovalerate
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Cyclohexyl isovalerate
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CAS No:
7774-44-9
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Formula:
C11H20O2
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Chemical Name:
Cyclohexyl isovalerate
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Synonyms:
Butanoic acid,3-methyl-,cyclohexyl ester;Isovaleric acid,cyclohexyl ester;Cyclohexyl isovalerate;Cyclohexyl 3-methylbutanoate;NSC 147480
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CAS No:
Description
Cyclohexyl isovalerate has an apple- and banana-like aroma.
Colourless liquid; apple- and banana-like aroma
Cyclohexyl 3-methylbutanoate is a fatty acid ester.
Cyclohexyl isovalerate Basic Attributes
184.27500
184.28
231-874-3
6SQ3O6ST39
147480
DTXSID1064796
2915900090
Characteristics
26.30000
2.90840
Colourless liquid; apple- and banana-like aroma
0.925 g/mL at 25ºC(lit.)
240-241 °C @ Press: 760 Torr
87.2ºC
n20/D 1.441(lit.)
insoluble in water
Safety Information
3
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 1374 companies from 2 notifications to the ECHA C&L Inventory.
Cyclohexyl isovalerate Use and Manufacturing
Butanoic acid, 3-methyl-, cyclohexyl ester: ACTIVE
Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents
Computed Properties
Molecular Weight:184.27
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:184.146329876
Monoisotopic Mass:184.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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