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Home >> Chemical Listing >> Page 700 >> 4,4-Dimethyl-1-Phenyl-2-Pentyn-1-One

4,4-Dimethyl-1-Phenyl-2-Pentyn-1-One
[CAS# 17475-11-5]

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Identification
Name 4,4-Dimethyl-1-Phenyl-2-Pentyn-1-One
Molecular Structure CAS#: 17475-11-5, 4,4-Dimethyl-1-Phenyl-2-Pentyn-1-One
Molecular Formula C13H14O
Molecular Weight 186.25
CAS Registry Number 17475-11-5
SMILES O=C(C#CC(C)(C)C)c1ccccc1
InChI 1S/C13H14O/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKey JKMPVFBNTHUBPK-UHFFFAOYSA-N
Properties
Density 0.997g/cm3 (Cal.)
Boiling point 275.977°C at 760 mmHg (Cal.)
Flash point 102.469°C (Cal.)
Refractive index 1.526 (Cal.)
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