chempirical

3-Methyl-2-butanol

C5H12OCAS 598-75-488.15 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C5H12O
Molar mass
88.15 g/mol
Exact mass
88.0888 Da
Density
0.81 g/mL (at 25 °C)
Melting point
92–92.5 °C
Boiling point
112 °C
logP
1.02Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
598-75-4
SMILES
CC(C)C(C)O
InChIKey
MXLMTQWGSQIYOW-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

10 names
  • 2-Butanol, 3-methyl-
  • 1,2-Dimethyl-1-propanol
  • (±)-3-Methyl-2-butanol
  • (±)-2-Methyl-3-butanol
  • NSC 71162
  • 1,2-Dimethylpropyl alcohol
  • sec-Isoamyl alcohol
  • Methylisopropylcarbinol
  • 1,2-Dimethylpropanol
  • 2-Methyl-3-butanol

Work with 3-Methyl-2-butanol

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

Similar compounds

(+)-2,3-Butanediol19132-06-062 % similar (2R,3R)-Butanediol24347-58-862 % similar 2,3-Butanediol513-85-962 % similar 3-Methyl-2,4-pentanediol5683-44-350 % similar 1-Cyclopropylethanol765-42-444 % similar 2,4-Dimethyl-3-pentanol600-36-244 % similar Rel-(2R,3S)-3-mercapto-2-butanol37887-04-042 % similar 3-Mercapto-2-butanol54812-86-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Isoamyl alcohol123-51-3 2-Methyl-1-butanol137-32-6 (S)-2-Methyl-1-butanol1565-80-6 Methyl tert-butyl ether1634-04-4 (+)-2-Pentanol26184-62-3 2-Methyl-1-butanol34713-94-5 3-Pentanol584-02-1 2-Pentanol6032-29-7

Elsewhere

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