5-Hydroxy-4-methylheptan-3-one
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Basic information
- CAS
71699-35-9- Standard SMILES
CCC(=O)[C@@H](C)[C@H](O)CC- InChIKey
GEZUGFBWAPDBGZ-NKWVEPMBSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.214 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- 5-Hydroxy-4-methylheptan-3-one
- IUPAC
- (4S,5R)-5-Hydroxy-4-methylheptan-3-one
- English name
- sitophilure
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
sitophilure3-Heptanone, 5-hydroxy-4-methyl-, (4R,5S)-rel-
Database identifiers
- CAS
71699-35-9- PubChem CID
- 155663
- DTXSID
DTXSID90992309- ChEBI
CHEBI:179954- Nikkaji
- J1.594.123E
Properties
Physicochemical properties
- Boiling point
- 219.5 · 219.5±13.0 °C(Predicted)
- Density
- 0.924 · 0.924±0.06 g/cm3(Predicted)
- pka
- 14.45 · 14.45±0.20(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 5R-Hydroxy-4S-methylheptan-3-one is a beta-hydroxy ketone.
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Related reactions
1 records
Compound notes
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