Hexyl valerate
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Hexyl valerate
structure -
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CAS No:
1117-59-5
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Formula:
C11H22O2
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Chemical Name:
Hexyl valerate
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Synonyms:
Pentanoic acid,hexyl ester;Valeric acid,hexyl ester;Hexyl valerianate;Hexyl valerate;Hexyl pentanoate;1-Hexyl n-valerate;1-Hexyl pentanoate;NSC 21861;n-Hexyl valerate
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CAS No:
Hexyl valerate Basic Attributes
186.29100
186.29
214-248-4
4223QQU9RL
21861
DTXSID3061502
2915600000
Characteristics
26.30000
3.30010
0.8100 g/cm3 @ Temp: 20 °C
-63.1 °C
226.3 °C
87.9ºC
n20/D 1.421
0.09mmHg at 25°C
Hexyl valerate Use and Manufacturing
Pentanoic acid, hexyl ester: INACTIVE
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:186.29
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:186.161979940
Monoisotopic Mass:186.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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