Phenylethyl 2-methylbutyrate
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Phenylethyl 2-methylbutyrate
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CAS No:
24817-51-4
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Formula:
C13H18O2
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Chemical Name:
Phenylethyl 2-methylbutyrate
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Synonyms:
Butanoic acid,2-methyl-,2-phenylethyl ester;Butyric acid,2-methyl-,phenethyl ester;Phenylethyl 2-methylbutyrate;Phenethyl 2-methylbutyrate;β-Phenylethyl 2-methylbutyrate;2-Phenylethyl 2-methylbutyrate;2-Phenylethyl 2-methylbutanoate;Phenylethyl 2-methylbutanoate
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CAS No:
Description
Phenethyl-2-methylbutyrate has a sweet, floral, fruity odor with warm, herbaceous notes; the flavor is sweet and slightly fruity
Colourless liquid; sweet floral fruity odour with a warm, oily-herbaceous undertone
Characteristics
26.3
2.81840
Colourless liquid; sweet floral fruity odour with a warm, oily-herbaceous undertone
0.975 g/mL at 25ºC(lit.)
281.9ºC at 760 mmHg
>230 °F
1.493
16.47 mg/L @ 25 °C (est)|Insoluble in water; soluble in oils|Miscible at room temperature (in ethanol)
0.00347mmHg at 25°C
LD50 orl-rat: >5 g/kg FCTOD7 26,399,88
Phenylethyl 2-methylbutyrate Use and Manufacturing
It is formed by esterification of phenethyl alcohol and 2-methyl butyrate.
GB 2760-96 specifies the allowable spices. Mainly used to prepare flavors such as honey.
Butanoic acid, 2-methyl-, 2-phenylethyl ester: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:206.28
XLogP3:3.5
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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