3-Phenylpropyl 3-methylbutanoate
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3-Phenylpropyl 3-methylbutanoate
structure -
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CAS No:
5452-07-3
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Formula:
C14H20O2
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Chemical Name:
3-Phenylpropyl 3-methylbutanoate
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Synonyms:
Butanoic acid,3-methyl-,3-phenylpropyl ester;3-Phenylpropyl 3-methylbutanoate;NSC 21901;3-Phenylpropyl isovalerate
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CAS No:
3-Phenylpropyl 3-methylbutanoate Basic Attributes
220.31
220.31
226-692-6
9UT5Q9TKW9
21901
DTXSID50202931
2915900090
Characteristics
26.30000
3.59860
0.98 g/mL at 25 °C(lit.)
285 °C(lit.)
115.7ºC
n20/D 1.484(lit.)
very slightly|insoluble in water; soluble in oils|miscible (in ethanol)
3-Phenylpropyl 3-methylbutanoate Use and Manufacturing
Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;
Computed Properties
Molecular Weight:220.31
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:220.146329876
Monoisotopic Mass:220.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Complexity:193
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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