1-Methyl-2-phenylethyl butanoate
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1-Methyl-2-phenylethyl butanoate
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CAS No:
68922-11-2
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Formula:
C13H18O2
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Chemical Name:
1-Methyl-2-phenylethyl butanoate
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Synonyms:
Butanoic acid,1-methyl-2-phenylethyl ester;1-Methyl-2-phenylethyl butanoate;1-Phenyl-2-propyl butanoate;1-Phenyl-2-propyl butyrate;1-Phenylpropan-2-yl butanoate
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CAS No:
Characteristics
26.30000
2.96090
1.0001 g/cm3 @ Temp: 20 °C
146 °C @ Press: 10 Torr
108ºC
1.493
16.47 mg/L @ 25 °C (est)|insoluble in water; soluble in oils, organic solvents|miscible at room temperature (in ethanol)
1-Methyl-2-phenylethyl butanoate Use and Manufacturing
Flavoring Agents -> JECFA Flavorings Index
Butanoic acid, 1-methyl-2-phenylethyl ester: INACTIVE
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:206.28
XLogP3:3.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:206.130679813
Monoisotopic Mass:206.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:183
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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