1-Pentanol
Properties
- Molecular formula
- C5H12O
- Molar mass
- 88.15 g/mol
- Exact mass
- 88.0888 Da
- Density
- 0.8146 g/mL (at 20 °C)
- Melting point
- −79 °C
- Boiling point
- 137.5 °C
- Water solubility
- 22 g/L (25 °C)
- logP
- 1.17Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vaporFlammable liquids
- H315 Causes skin irritationSkin corrosion/irritation
- H332 Harmful if inhaledAcute toxicity, inhalation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
71-41-0SMILES
CCCCCOInChIKey
AMQJEAYHLZJPGS-UHFFFAOYSA-NInChI
InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- Pentyl alcohol
- Amyl alcohol
- n-Amyl alcohol
- Amylol
- n-Butyl carbinol
- n-Pentanol
- Pentanol
- n-Pentyl alcohol
- 1-Pentyl alcohol
- n-Pentan-1-ol
- Butyl carbinol
- NSC 5707
Work with 1-Pentanol
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
1-Hexanol111-27-393 % similar
1-Heptanol111-70-693 % similar
1-Octanol111-87-593 % similar
1-Decanol112-30-193 % similar
Undecanol112-42-593 % similar
Dodecanol112-53-893 % similar
1-Tridecanol112-70-993 % similar
1-Tetradecanol112-72-193 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds