Benzylfumarate
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Benzylfumarate
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CAS No:
538-64-7
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Formula:
C18H16O4
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Chemical Name:
Benzylfumarate
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Synonyms:
Benzylfumarate;4-oxo-4-phenylmethoxybut-2-enoate;CTK4J8886;DTXSID40697812;4-(Benzyloxy)-4-oxobut-2-enoate;4-oxo-4-phenylmethoxy-2-butenoate;4-oxidanylidene-4-phenylmethoxy-but-2-enoate;A829805;2-Butenedioic acid(2E)-, 1,4-bis(phenylmethyl) ester
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CAS No:
Benzylfumarate Use and Manufacturing
By the reaction of benzyl alcohol and fumaric acid. Benzyl alcohol and fumaric acid are added to benzene at a molar ratio of 2:1, then concentrated sulfuric acid is added, and the reaction is heated to reflux to remove water. After the reaction is completed, it is cooled, washed with water, washed with 5% sodium bicarbonate, and then washed with water, and the benzene is distilled off.
In room spray deodorant:Kulka, US 3077457 (1963 to Fritzsche Bros.).
Computed Properties
Molecular Weight:296.3
XLogP3:3.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:296.10485899
Monoisotopic Mass:296.10485899
Topological Polar Surface Area:52.6
Heavy Atom Count:22
Complexity:341
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes