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Substance
ID:1835635
Structure
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Functional Group
Text
ID:106210
diacetone alcohol
Chemical Entities of Biological Interest
ID: CHEBI:55381
Names and Identifiers
IUPAC name
4-hydroxy-4-methylpentan-2-one
IUPAC Traditional name
diacetone alcohol
Synonyms
diacetone alcohol
2-Methyl-2-pentanol-4-one
4-Hydroxy-2-keto-4-methylpentane
4-Hydroxy-4-methyl-2-pentanone
4-hydroxy-4-methylpentan-2-one
Acetonyldimethylcarbinol
Diacetonalkohol
Diacetone-alcool
Diacetonyl alcohol
Dimethyl acetonyl carbinol
Registration numbers
CAS Number
123-42-2
Wikipedia Title
Diacetone_alcohol
Beilstein Number
1740440
PubChem CID
31256
PubMed Citation Links
18155147
24227491
16718565
Reaxys Registry
1740440
ACToR Database
123-42-2
BKMS React Database
112646
BRENDA Database
1.13.11.50
BRENDA Ligand Database
112646
CHEMBL
CHEMBL3182048
CompTox Database
DTXSID6024917
MetaboLights Database
MTBLS642
MTBLS4012
MTBLS1079
MTBLS150
MTBLS152
MTBLS2026
MTBLS3038
MTBLS4132
MTBLS392
SureChEMBL Database
SCHEMBL28494
HMDB Database
HMDB0031511
NMRShiftDB Database
10020694
CHEBI ID
CHEBI:55381
PubChem SID
87351939
Properties
No Data Available
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Molecule Details
A beta-hydroxy ketone formed by hydroxylation of 4-methylpentan-2-one at the 4-position. It has been isolated from Achnatherum robustum.
Molecular Spectra
No Data Available
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References
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