1,4-Diphenyl-1-butanone
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Product Description
Product
1,4-Diphenyl-1-butanone
CAS
5407-91-0
Formula
C16H16O
Typical Product Specifications
Molecular weight
224.30
EINECS
226-471-4
SMILES
c1ccc(C(=O)CCCc2ccccc2)cc1
InChI
1S/C16H16O/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2
InChIKey
GBUMEGLMTNAXOM-UHFFFAOYSA-N
Molecular weight
303.83
EINECS
219-567-2
SMILES
C(c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)=N.Cl
InChI
1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H
InChIKey
KSCQDDRPFHTIRL-UHFFFAOYSA-N
Water solubility
Soluble in water or ethanol
Stability
Stable. Incompatible with strong oxidizing agents.
Colour Index
41000
Storage Temperature
Store at room temperature.
Melting Point
>250 °C (dec.)
Atmospheric OH Rate Constant
2.05E-10 cm3/molecule-sec
log P (octanol-water)
2.980
Water solubility
1.00E+04 mg/L
Henry's Law Constant
3.64E-09 atm-m3/mole
Vapor Pressure
1.29E-06 mm Hg
Class
Industry
Functions
1,4-Diphenyl-1-butanone
Product Description
Product
1,4-Diphenyl-1-butanone
CAS
5407-91-0
Formula
C16H16O
Typical Product Specifications
Molecular weight
224.30
EINECS
226-471-4
SMILES
c1ccc(C(=O)CCCc2ccccc2)cc1
InChI
1S/C16H16O/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2
InChIKey
GBUMEGLMTNAXOM-UHFFFAOYSA-N
Molecular weight
303.83
EINECS
219-567-2
SMILES
C(c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)=N.Cl
InChI
1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H
InChIKey
KSCQDDRPFHTIRL-UHFFFAOYSA-N
Water solubility
Soluble in water or ethanol
Stability
Stable. Incompatible with strong oxidizing agents.
Colour Index
41000
Storage Temperature
Store at room temperature.
Melting Point
>250 °C (dec.)
Atmospheric OH Rate Constant
2.05E-10 cm3/molecule-sec
log P (octanol-water)
2.980
Water solubility
1.00E+04 mg/L
Henry's Law Constant
3.64E-09 atm-m3/mole
Vapor Pressure
1.29E-06 mm Hg
Class
Industry
Functions
