4-tert-Amylcyclohexanone
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4-tert-Amylcyclohexanone
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CAS No:
16587-71-6
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Formula:
C11H20O
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Chemical Name:
4-tert-Amylcyclohexanone
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Synonyms:
Cyclohexanone,4-(1,1-dimethylpropyl)-;Cyclohexanone,4-tert-pentyl-;4-(1,1-Dimethylpropyl)cyclohexanone;4-tert-Amylcyclohexanone;4-tert-Pentylcyclohexanone;Orivone;NSC 21167;4-(tert-Pentyl)cyclohexan-1-one
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CAS No:
4-tert-Amylcyclohexanone Basic Attributes
168.27600
168.28
240-642-0
5380BWU79X
21167
DTXSID4047127
2914299000
Characteristics
17.07000
3.18190
0.9245 g/cm3 @ Temp: 20 °C
96 °C
110-113 °C @ Press: 12 Torr
86.1ºC
1.469
0.0649mmHg at 25°C
Safety Information
R36/38
S26-S36
GW1960000
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P321, P332+P313, and P362|Aggregated GHS information provided by 1642 companies from 7 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:168.28
XLogP3:2.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:168.151415257
Monoisotopic Mass:168.151415257
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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