3-Hydroxy-3-methylpentan-2-one
Basic information
- CAS
560-24-7- Standard SMILES
CCC(C)(O)C(C)=O- InChIKey
KHCUSEDRQWYNDS-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Names & identifiers
- Preferred name
- 3-Hydroxy-3-methylpentan-2-one
- IUPAC
- 3-hydroxy-3-methylpentan-2-one
- English name
- 2-Pentanone, 3-hydroxy-3-methyl- (8CI,9CI)
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
3-hydroxy-3-methylpentan-2-one560-24-7DTXSID10279826RefChem:279831DTXCID402309802-Pentanone, 3-hydroxy-3-methyl-3-hydroxy-3-methyl-2-pentanoneNSC14251SCHEMBL640543KHCUSEDRQWYNDS-UHFFFAOYSA-NNSC31340NSC31641
Show more names
3-hydroxy-3-methyl-pentan-2-one2-Pentanone, 3-hydroxy-3-methyl- (8CI,9CI)
NSC-14251NSC-31340NSC-31641DB-270656NS00041443
Database identifiers
- CAS
560-24-7- PubChem CID
- 225147
- DTXSID
DTXSID10279826- EC Number
- 978-203-7
- Nikkaji
- J1.365.378J
Properties
Computed structural properties
- XLogP
- 0.4
- 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
- 98.7
Physicochemical properties
- Boiling point
- 80 · 80-81 °C(Press: 10 Torr)
- Density
- 0.9432 g/cm3 · 0.9432 g/cm3
- pka
- 13.28 · 13.28±0.29(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, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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%)
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Compound notes
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