3-Methyl-2-butanol
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
Hazards
Warning
- H226 Flammable liquid and vapor12.8% of notifiers
- H332 Harmful if inhaled99.2% of notifiers
- H335 May cause respiratory irritation99.7% of notifiers
Aggregated from 1,475 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P319, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
598-75-4SMILES
CC(C)C(C)OInChIKey
MXLMTQWGSQIYOW-UHFFFAOYSA-NInChI
InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3Weigh 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
Reactions
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.