octyl 2-phenylacetate

CAS No. 122-45-2

Formula: C16H24O2
Basic Info

Formula
C16H24O2
Molecular Weight
248.361
Exact Mass
248.178
LogP
4.1328
PSA
26.3
Synonyms

UNII-TDN0NV3W9J

Octyl phenylacetate

Phenylessigsaeureoctylester

Octyl benzeneacetate

phenylacetic acid octyl ester

n-octyl phenylacetate

Benzeneacetic acid,octyl ester

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Properties
Density
0.963g/cm3
Boiling Point
330.9ºC at 760mmHg
Flash Point
110.5ºC
Refractive Index
1.49
Vapor Pressure
0.000161mmHg at 25°C
Safety Info
HS Code
2916399090
Spectrum
NMR Spectrum 1H NMR : Predict
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Mass Spectrum Mass spectrum (electron ionization)
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Analysis Methods
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
DB-1
Retention index
1800.3
Temperature Control
160.
Method
isothermal
Comments
30. m/0.256 mm/0.25 μm, N2
Reference
Mijin, D.Antonovic, D.G.The temperature dependence of the retention index for n-alkyl esters of acetic, propionic, cyclohexanecarboxylic, benzoic and phenylacetic acid on DB-1 and DB-5 capillary columnsJ. Serb. Chem. Soc.2006, 71, 6, 629-637.
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
1830.31
Temperature Control
160.
Method
isothermal
Comments
60. m/0.321 mm/0.25 μm, N2
Reference
Mijin, D.Antonovic, D.G.The temperature dependence of the retention index for n-alkyl esters of acetic, propionic, cyclohexanecarboxylic, benzoic and phenylacetic acid on DB-1 and DB-5 capillary columnsJ. Serb. Chem. Soc.2006, 71, 6, 629-637.

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