2-Allylcyclohexanone
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2-Allylcyclohexanone
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CAS No:
94-66-6
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Formula:
C9H14O
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Chemical Name:
2-Allylcyclohexanone
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Synonyms:
Cyclohexanone,2-(2-propen-1-yl)-;Cyclohexanone,2-allyl-;Cyclohexanone,2-(2-propenyl)-;2-(2-Propen-1-yl)cyclohexanone;2-Allylcyclohexanone;NSC 128921;2-(2-Propenyl)cyclohexanone;2-Allylcyclohexan-1-one;2-(Prop-2-en-1-yl)cyclohexan-1-one;115182-22-4
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CAS No:
Characteristics
17.1
2.32180
0.927 g/cm3 @ Temp: 22 °C
94 °C @ Press: 16 Torr
>230 °F
n20/D 1.469(lit.)
H2O: Insoluble
Safety Information
UN 3077
3
20/21/22-36/37/38
22-26-36/37/39-45-37/39
Xn,Xi
P261-P280-P305 + P351 + P338
H302-H312-H315-H319-H332-H335
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:138.21
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:138.104465066
Monoisotopic Mass:138.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:138
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes