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25522-96-7

25522-96-7 Structure

25522-96-7 Structure
IdentificationBack Directory
[Name]

3,4-dihydroxy-5-(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxopent-3-enyl)cyclopent-2-en-1-one
[CAS]

25522-96-7
[Synonyms]

Einecs 247-072-1
30% Iso-alpha-acids Hop Extracts
2-(1-Oxo-3-methylbutyl)-3,4-dihydroxy-4-(1-oxo-4-methyl-3-pentenyl)-5-prenyl-2-cyclopentene-1-one
2-(3-Methylbutyryl)-3,4-dihydroxy-5-(3-methyl-2-butenyl)-4-(4-methyl-3-pentenoyl)-2-cyclopentene-1-one
3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one
2-(3-Methylbutanoyl)-3,4-dihydroxy-4-(4-methyl-3-pentenoyl)-5-(3-methyl-2-butenyl)-2-cyclopentene-1-one
3,4-Dihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-pentenyl)-2-cyclopenten-1-one
3,4-dihydroxy-5-(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxopent-3-enyl)cyclopent-2-en-1-one
2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-penten-1-yl)-
[EINECS(EC#)]

247-072-1
[Molecular Formula]

C21H30O5
[MDL Number]

MFCD02259468
[MOL File]

25522-96-7.mol
[Molecular Weight]

362.46
Chemical PropertiesBack Directory
[Melting point ]

-10--5 °C
[Boiling point ]

530.5±50.0 °C(Predicted)
[density ]

1.135±0.06 g/cm3(Predicted)
[solubility ]

Dichloromethane (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

2.87±0.58(Predicted)
[color ]

Yellow
[LogP]

6.029 (est)
Hazard InformationBack Directory
[Uses]

Isohumulone is a chemical compound that contributes to the bitter taste of beer. It belongs to a class of compound known as the Iso-alpha acids found in the hops.
[Definition]

ChEBI: A cyclic ketone that is the naturally occurring (4S,5R) enantiomer of the cis-isomer of isohumolone, produced during the brewing process due to thermal isomerism, which converts humulones to isohumulones v a an acyloin-type ring contraction.
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