hexyl 2-phenylacetate

CAS No. 5421-17-0

Formula: C14H20O2
Basic Info

Formula
C14H20O2
Molecular Weight
220.307
Exact Mass
220.146
LogP
3.3526
PSA
26.3
Synonyms

Hexyl benzeneacetate

UNII-9OMY0L6TTU

n-Hexyl-phenylacetat

Phenyl-essigsaeure-hexylester

phenyl-acetic acid hexyl ester

n-Hexyl phenylacetate

Hexyl phenylacetate

Benzeneacetic acid,hexyl ester

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Properties
Density
0.98g/cm3
Boiling Point
297.7ºC at 760 mmHg
Flash Point
108.7ºC
Refractive Index
1.493
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
1605.59
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
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
1627.92
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.
Kovats' RI, non-polar column, isothermal
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Column Shape
Packed
Active Phase(℃)
SE-30
Retention index
1610.
Temperature Control
200.
Method
isothermal
Comments
Chromosorb W AW DMCS; Column length: 3.7 m
Reference
Haken, J.K.Hartley, H.N.T.Srisukh, D.Retention increments of aromatic estersChromatographia1983, 17, 11, 589-596.
Normal alkane RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
HP-5 MS
Retention index
1630.
Temperature Control
Method
temperature ramp
Comments
30. m/0.32 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 240. C @ 10. min
Reference
Pino, J.A.Marquez, E.Quijano, C.E.Castro, D.Volatile compounds in noni (Morinda citrifolia L.) at two ripening stagesCiencia e Technologia de Alimentos2010, 30, 1, 183-187.
Normal alkane RI, non-polar column, custom temperature program
expand collapse
Column Shape
Capillary
Active Phase(℃)
HP-5 MS
Retention index
1631.
Temperature Control
Method
custom temperature program
Comments
30. m/0.32 mm/0.25 μm, Helium; Program: not specified
Reference
Pino, J.A.Marquez, E.Quijano, C.E.Castro, D.Volatile compounds in noni (Morinda citrifolia L.) at two ripening stagesCiencia e Technologia de Alimentos2010, 30, 1, 183-187.

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