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Basic information
- CAS
52279-27-3- Standard SMILES
CC(C)C(=O)C(C)O- InChIKey
JZFRZJUXMOAVFU-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
Names & identifiers
- Preferred name
- 2-Hydroxy-4-methylpentan-3-one
- IUPAC
- 2-hydroxy-4-methylpentan-3-one
- English name
- 3-Pentanone, 2-hydroxy-4-methyl- (9CI)
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
52279-27-3RefChem:4732152-hydroxy-4-methylpentan-3-one985-875-53-Pentanone, 2-hydroxy-4-methyl- (9CI)SCHEMBL106921SCHEMBL8834273SCHEMBL276369673-PENTANONE, 2-HYDROXY-4-METHYL-DB-324615
Database identifiers
- CAS
52279-27-3- PubChem CID
- 13129596
- EC Number
- 985-875-5
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 86.5
Physicochemical properties
- Melting point
- 72 · 72-73 °C
- Boiling point
- 47 · 47-48 °C(Press: 9.5 Torr)
- Density
- 0.944 · 0.944±0.06 g/cm3(Predicted)
- pka
- 12.84 · 12.84±0.20(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
1 records
Compound notes
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