chempirical

3-Hydroxy-3-methyl-2-butanone

C5H10O2CAS 115-22-0102.13 g/mol

Open in Covalent MOL file
OOH
AlcoholKetone

Properties

Molecular formula
C5H10O2
Molar mass
102.13 g/mol
Exact mass
102.0681 Da
Density
0.9632 g/mL (at 21 °C)
Melting point
84–85 °C
Boiling point
140.5 °C
logP
0.35Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
115-22-0
SMILES
CC(=O)C(C)(C)O
InChIKey
BNDRWEVUODOUDW-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

12 names
  • 2-Butanone, 3-hydroxy-3-methyl-
  • 2-Hydroxy-2-methyl-3-butanone
  • 3-Methylacetoin
  • Dimethylacetylcarbinol
  • 2-Methyl-2-hydroxy-3-butanone
  • Methylacetoin
  • 1-Hydroxy-1-methylethyl methyl ketone
  • 3-Hydroxy-3-methylbutanone
  • Acetyldimethylcarbinol
  • 3-Methyl-3-hydroxy-2-butanone
  • NSC 5576
  • 2-Methyl-3-oxobutan-2-ol

Work with 3-Hydroxy-3-methyl-2-butanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

Ethyl propionate105-37-3 5-Hydroxy-2-pentanone1071-73-4 Isopropyl acetate108-21-4 Valeric acid109-52-4 Propyl acetate109-60-4 Ethylene glycol monoallyl ether111-45-5 4-Methyl-1,3-dioxane1120-97-4 2-Methylbutanoic acid116-53-0

Elsewhere

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