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4-[5-(5,5-Dimethyl-1,3-dioxan-2-yl)pentanoyl]benzonitrile
[CAS# 898756-80-4]

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Identification
Name 4-[5-(5,5-Dimethyl-1,3-dioxan-2-yl)pentanoyl]benzonitrile
Synonyms 4'-cyano-5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone
Molecular Structure CAS#: 898756-80-4, 4-[5-(5,5-Dimethyl-1,3-dioxan-2-yl)pentanoyl]benzonitrile
Molecular Formula C18H23NO3
Molecular Weight 301.38
CAS Registry Number 898756-80-4
SMILES N#Cc1ccc(cc1)C(=O)CCCCC2OCC(C)(C)CO2
InChI 1S/C18H23NO3/c1-18(2)12-21-17(22-13-18)6-4-3-5-16(20)15-9-7-14(11-19)8-10-15/h7-10,17H,3-6,12-13H2,1-2H3
InChIKey DCGYZEVCPQSTDD-UHFFFAOYSA-N
Properties
Density 1.11g/cm3 (Cal.)
Boiling point 450.641°C at 760 mmHg (Cal.)
Flash point 196.567°C (Cal.)
Refractive index 1.529 (Cal.)
Safety Data
SDS Available
Market Analysis Reports
List of Reports Available for 4-[5-(5,5-Dimethyl-1,3-dioxan-2-yl)pentanoyl]benzonitrile
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