2-Phenylethyl octanoate
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2-Phenylethyl octanoate
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CAS No:
5457-70-5
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Formula:
C16H24O2
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Chemical Name:
2-Phenylethyl octanoate
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Synonyms:
Octanoic acid,2-phenylethyl ester;Octanoic acid,phenethyl ester;2-Phenylethyl octanoate;2-Phenethyl octanoate;Phenethyl octanoate;Phenylethyl caprylate;β-Phenylethyl octanoate;NSC 23950
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CAS No:
Description
Phenethyl octanoate has a mild, fruity, wine-like odor.
Colourless oily liquid; mild fruity wine-like odour
2-Phenylethyl octanoate is a fatty acid ester.
2-Phenylethyl octanoate Basic Attributes
248.36
248.36
226-718-6
89J4RI53EZ
23950
DTXSID4063909
2915900090
Characteristics
26.3
4.13280
Colourless oily liquid; mild fruity wine-like odour
0.947 g/mL at 25ºC(lit.)
295-296 °C(lit.)
>230 °F
1.49
0.4678 mg/L @ 25 °C (est)|Insoluble in water; soluble in oils|Miscible at room temperature (in ethanol)
2-Phenylethyl octanoate Use and Manufacturing
It is directly esterified by phenethyl alcohol and caprylic acid.
GB 2760-1996 stipulates that it is temporarily allowed to use spices for food.
Octanoic acid, 2-phenylethyl ester: ACTIVE
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:248.36
XLogP3:5.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:10
Exact Mass:248.177630004
Monoisotopic Mass:248.177630004
Topological Polar Surface Area:26.3
Heavy Atom Count:18
Complexity:207
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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