CAS number
645-59-0

Molecular formula
C9H9N

SMILES
C1=CC=C(C=C1)CCC#N

Retention indicies (RI)

• DB5: 1244.0

floral	75.15%
sweet	48.02%
green	39.08%
spicy	35.55%
fresh	35.47%
citrus	34.96%
rose	34.53%
balsamic	32.13%
waxy	29.54%
metallic	29.39%

Scent© AI

XLogP3-AA
1.7 Well soluble in DEP, MMB, TEC

Molecular weight
131.17 g/mol

Melting points

• -1 °C

Boiling points

• 261.00 °C. @ 760.00 mm Hg

• 3-Phenylpropionitrile
• 3-Phenylpropanenitrile
• Benzenepropanenitrile
• 645-59-0
• HYDROCINNAMONITRILE
• 2-Phenylethyl cyanide
• Benzenepropionitrile
• (2-Cyanoethyl)benzene
• 3-Phenylpropiononitrile
• Phenylpropionitrile
• Phenethyl cyanide
• Hydrocinnamique nitrile
• MFCD00001961
• NSC 16936
• 1-Cyano-2-phenylethane
• 1-Phenyl-2-cyanoethane
• UNII-H2Y1JYN13Q
• Benzenepropanitrile
• EINECS 211-447-8
• H2Y1JYN13Q
• BRN 0636348
• 3-phenyl-propionitrile
• AI3-23733
• beta-phenylpropionitrile
• beta-Phenylethyl cyanide
• beta-Phenyl propionitrile
• NSC-16936
• DTXSID4060949
• CHEBI:85426
• 4-09-00-01764 (Beilstein Handbook Reference)
• Benzylacetonitrile
• MFCD31699963
• Hydrocinnamique nitrile [French]
• phenylpropanonitrile
• 3-phenypropionitrile
• 3-phenylpropanonitril
• b-Phenylethyl cyanide
• b-Phenyl propionitrile
• .beta.-Phenylpropionitrile
• .beta.-Phenylethyl cyanide
• .beta.-Phenyl propionitrile
• 3-Phenylpropionitrile, 99%
• SCHEMBL181108
• DTXCID8044333
• NSC16936
• STL445674
• AKOS000121591
• BS-23134
• SY049791
• SY246292
• NS00014934
• P0611
• EN300-21666
• D91984
• Q27158567
• F0001-1748
• Z104507980