2-[(Methylthio)methyl]-3-phenyl-2-propenal
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![2-[(Methylthio)methyl]-3-phenyl-2-propenal structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/585bc7a475ab4bb4b67dbc8fda3e2670.png "2-[(Methylthio)methyl]-3-phenyl-2-propenal")
2-[(Methylthio)methyl]-3-phenyl-2-propenal
structure -
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CAS No:
65887-08-3
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Formula:
C11H12OS
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Chemical Name:
2-[(Methylthio)methyl]-3-phenyl-2-propenal
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Synonyms:
2-Propenal,2-[(methylthio)methyl]-3-phenyl-;2-[(Methylthio)methyl]-3-phenyl-2-propenal;2-(Methylthiomethyl)-3-phenylpropenal
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CAS No:
Characteristics
42.37000
2.63190
1.101 g/cm3
349.4ºC at 760 mmHg
188.8ºC
1.596
insoluble in water; miscible in fats
2-[(Methylthio)methyl]-3-phenyl-2-propenal Use and Manufacturing
Flavoring Agents -> JECFA Flavorings Index
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:192.28
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:192.06088618
Monoisotopic Mass:192.06088618
Topological Polar Surface Area:42.4
Heavy Atom Count:13
Complexity:181
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-[(Methylthio)methyl]-3-phenyl-2-propenal
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