chempirical

2-Methyl-1-butanol

C5H12OCAS 137-32-688.15 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
0.816 g/mL (at 20 °C)
Melting point
−70 °C
Boiling point
128 °C
logP
1.02Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
137-32-6
SMILES
CCC(C)CO
InChIKey
QPRQEDXDYOZYLA-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • 1-Butanol, 2-methyl-
  • sec-Butylcarbinol
  • Primary active amyl alcohol
  • Active amyl alcohol
  • Active primary amyl alcohol
  • 2-Methyl-n-butanol
  • 2-Methylbutyl alcohol
  • (±)-2-Methyl-1-butanol
  • NSC 8431

Work with 2-Methyl-1-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-Methyl-1,3-propanediol2163-42-065 % similar 3-Methylpentane96-14-059 % similar 2-Methyl-1-pentanol105-30-655 % similar 3-Methyl-1-pentanol589-35-555 % similar 3,5-Dimethylheptane926-82-953 % similar (2R)-2-Methyl-1,4-butanediol22644-28-650 % similar 2-Ethyl-1-butanol97-95-050 % similar 5-Methyl-3-heptanol18720-65-546 % similar

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

Same formula

Isoamyl alcohol123-51-3 (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 3-Methyl-2-butanol598-75-4 2-Pentanol6032-29-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia