α,4-Dimethylbenzenepropanal
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α,4-Dimethylbenzenepropanal
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CAS No:
41496-43-9
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Formula:
C11H14O
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Chemical Name:
α,4-Dimethylbenzenepropanal
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Synonyms:
Benzenepropanal,α,4-dimethyl-;Hydrocinnamaldehyde,p,α-dimethyl-;α,4-Dimethylbenzenepropanal;2-Methyl-3-(4-methylphenyl)propanal;3-(4-Methylphenyl)-2-methylpropanal;p,α-Dimethylhydrocinnamaldehyde;NSC 22267;2-Methyl-3-tolylpropionaldehyde;Jasmorange;2-Methyl-3-p-tolylpropanal
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CAS No:
Characteristics
17.07000
2.37250
0.958g/cm3
108-109 °C @ Press: 6.5 Torr
103.9ºC
1.503
Soluble in oils; Slightly soluble in water|Soluble (in ethanol)
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 1638 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
α,4-Dimethylbenzenepropanal Use and Manufacturing
Benzenepropanal, .alpha.,4-dimethyl-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:162.23
XLogP3:2.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:162.104465066
Monoisotopic Mass:162.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:134
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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