4-(2,5,6,6-Tetramethyl-1-cyclohexen-1-yl)-3-buten-2-one
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4-(2,5,6,6-Tetramethyl-1-cyclohexen-1-yl)-3-buten-2-one
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CAS No:
79-70-9
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Formula:
C14H22O
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Chemical Name:
4-(2,5,6,6-Tetramethyl-1-cyclohexen-1-yl)-3-buten-2-one
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Synonyms:
3-Buten-2-one,4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-;β-Ionone,6-methyl-;4-(2,5,6,6-Tetramethyl-1-cyclohexen-1-yl)-3-buten-2-one;β-Irone;6-Methyl-β-ionone
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CAS No:
Safety Information
|Warning|H315: Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, and P501
4-(2,5,6,6-Tetramethyl-1-cyclohexen-1-yl)-3-buten-2-one Use and Manufacturing
3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]-: ACTIVE
Computed Properties
Molecular Weight:206.32
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:206.167065321
Monoisotopic Mass:206.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:15
Complexity:318
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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