Isobutanol
Properties
- Molecular formula
- C4H10O
- Molar mass
- 74.12 g/mol
- Exact mass
- 74.0732 Da
- Density
- 0.8018 g/mL (at 24 °C)
- Melting point
- −108 °C
- Boiling point
- 108 °C
- Flash point
- 28 °C (closed cup)
- Water solubility
- 66.5–90.9 g/L (25 °C)
- logP
- 0.63Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H226 Flammable liquid and vaporFlammable liquids
- H315 Causes skin irritationSkin corrosion/irritation
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
- H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
78-83-1SMILES
CC(C)COInChIKey
ZXEKIIBDNHEJCQ-UHFFFAOYSA-NInChI
InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 1-Propanol, 2-methyl-
- Isobutyl alcohol
- 2-Methyl-1-propanol
- Isopropyl carbinol
- 2-Methylpropyl alcohol
- iso-Butyl alcohol
- 1-Isobutanol
- NSC 5708
- 1-Methyl-2-propanol
- 1-Hydroxy-2-methylpropane
Work with Isobutanol
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-propanediol2163-42-050 % similar
L-Leucinol7533-40-648 % similar
Isoamyl alcohol123-51-344 % similar
R-(-)-1,2-Propanediol4254-14-244 % similar
(+)-1,2-Propanediol4254-15-344 % similar
Propylene glycol57-55-644 % similar
L-Alaninol2749-11-342 % similar
Alaninol6168-72-542 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds