5-Methyl-1-phenyl-1-hexen-3-one
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5-Methyl-1-phenyl-1-hexen-3-one
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CAS No:
2892-18-4
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Formula:
C13H16O
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Chemical Name:
5-Methyl-1-phenyl-1-hexen-3-one
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Synonyms:
1-Hexen-3-one,5-methyl-1-phenyl-;5-Methyl-1-phenyl-1-hexen-3-one;Styryl isobutyl ketone;1-Phenyl-5-methyl-1-hexen-3-one;NSC 11849;NSC 31025
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CAS No:
Characteristics
17.07000
3.31500
0.9781 g/cm3 @ Temp: 18.1 °C
43 °C
179-183 °C @ Press: 32 Torr
111.2ºC
1.538
Safety Information
|H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 42 companies from 1 notifications to the ECHA C&L Inventory.|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:188.26
XLogP3:3.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:188.120115130
Monoisotopic Mass:188.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:197
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes