Pinacolyl alcohol
Properties
- Molecular formula
- C6H14O
- Molar mass
- 102.18 g/mol
- Exact mass
- 102.1045 Da
- Density
- 0.81 g/mL (at 25 °C)
- Melting point
- 4.8 °C
- Boiling point
- 120 °C
- Flash point
- 26 °C (closed cup)
- logP
- 1.41Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
464-07-3SMILES
CC(O)C(C)(C)CInChIKey
DFOXKPDFWGNLJU-UHFFFAOYSA-NInChI
InChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- 2-Butanol, 3,3-dimethyl-
- 3,3-Dimethyl-2-butanol
- tert-Butyl methyl carbinol
- 2,2-Dimethyl-3-butanol
- 1-Methyl-2,2-dimethylpropanol
- DL-3,3-Dimethylbutan-2-ol
- (±)-Pinacolyl alcohol
- (±)-3,3-Dimethyl-2-butanol
- NSC 939
- 1,2,2-Trimethyl-1-propanol
- 1-tert-Butylethanol
Work with Pinacolyl alcohol
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
(2S)-1,1,1-Trifluoropropan-2-ol3539-97-747 % similar
1,1,1-Trifluoro-2-propanol374-01-647 % similar
Triptane464-06-241 % similar
3,3,4,4,4-Pentafluoro-2-butanol374-40-339 % similar
2,2-Dimethyl-3-pentanol3970-62-535 % similar
2,6-Bis(1,1-dimethylethyl)-4-methylcyclohexanol163119-16-235 % similar
1-(2H-Perfluoropropyl)ethanol2711-81-135 % similar
(+)-2-Amino-3,3-dimethylbutane22526-47-233 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.