N-acetylphenylethylamine

CAS No. 877-95-2

Formula: C10H13NO
Basic Info

Formula
C10H13NO
Molecular Weight
163.216
Exact Mass
163.1
LogP
1.7561
PSA
29.1
Synonyms

N-Phenethylacetamide

N-(2-phenylethyl)acetamide

Acetamide, N-(2-phenylethyl)-

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Properties
Appearance & Physical State
white to off-white low melting mass
Density
1.012 g/cm3
Boiling Point
346.6ºC at 760 mmHg
Melting Point
48-52ºC
Flash Point
204ºC
Refractive Index
1.516
Safety Info
RTECS
AC7740000
Safety Statements
S24/25
HS Code
2924299090
Spectrum
NMR Spectrum 1H NMR : Predict
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Analysis Methods
Van Den Dool and Kratz RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
HP-5MS
Retention index
1511.7
Temperature Control
Method
custom temperature program
Comments
30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
Reference
Andriamaharavo, N.R.Retention Data. NIST Mass Spectrometry Data Center.NIST Mass Spectrometry Data Center, 2014.
Van Den Dool and Kratz RI, polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
OV-351
Retention index
2590.
Temperature Control
Method
temperature ramp
Comments
50. m/0.32 mm/0.2 μm, He, 5. K/min; T<sub>start</sub>: 60. C; T<sub>end</sub>: 220. C
Reference
Bonvehí, J.S.Investigation of aromatic compounds in roasted cocoa powderEur. Food Res. Technol.2005, 221, 1-2, 19-29.
Van Den Dool and Kratz RI, polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
OV-351
Retention index
2590.
Temperature Control
Method
temperature ramp
Comments
50. m/0.32 mm/0.2 μm, He, 5. K/min; T<sub>start</sub>: 60. C; T<sub>end</sub>: 220. C
Reference
Bonvehi, J.S.Coll, F.V.Flavour index and aroma profiles of fresh and processed honeysJ. Sci. Food Agric.2003, 83, 4, 275-282.
Van Den Dool and Kratz RI, polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-Wax
Retention index
2580.
Temperature Control
Method
temperature ramp
Comments
He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; T<sub>end</sub>: 210. C
Reference
Kunert-Kirchhoff, J.Baltes, W.Model reactions on roast arome formation. VII. Specific products of phenylalanine after cooking L-phenylalanine with D-glucose in a laboratory autoclaveZ. Lebensm. Unters. Forsch.1990, 190, 1, 9-13.
Normal alkane RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
1513.
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, He, 2. K/min; T<sub>start</sub>: 40. C; T<sub>end</sub>: 250. C
Reference
Güntert, M.Rapp, A.Takeoka, G.R.Jennings, W.HRGC and HRGC-MS applied to wine constituents of lower volatilityZ. Lebensm. Unters. Forsch.1986, 182, 3, 200-204.

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