1-Hexanol

C6H14OCAS 111-27-3102.18 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C6H14O
Molar mass
102.18 g/mol
Exact mass
102.1045 Da
Density
0.8153 g/mL (at 25 °C)
Melting point
−44.6 °C
Boiling point
157 °C
Flash point
62.8 °C (closed cup)
Water solubility
5.9 g/L (25 °C)
logP
1.56Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 603-059-00-6), via PubChem.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
111-27-3
SMILES
CCCCCCO
InChIKey
ZSIAUFGUXNUGDI-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Hexyl alcohol
  • Amylcarbinol
  • Caproyl alcohol
  • n-Hexanol
  • 1-Hydroxyhexane
  • n-Hexyl alcohol
  • Pentylcarbinol
  • 1-Hexyl alcohol
  • Hexanol
  • n-Hexan-1-ol
  • Epal 6
  • NSC 9254
  • Kalcohl 0698
  • Hexan-1-ol

Reactions

Work with 1-Hexanol

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-Heptanol111-70-6100 % similar 1-Octanol111-87-5100 % similar 1-Decanol112-30-1100 % similar Undecanol112-42-5100 % similar Dodecanol112-53-8100 % similar 1-Tridecanol112-70-9100 % similar 1-Tetradecanol112-72-1100 % similar Stearyl alcohol112-92-5100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-1-pentanol105-30-6 4-Methyl-2-pentanol108-11-2 Diisopropyl ether108-20-3 Di-n-propyl ether111-43-3 (2R)-4-Methylpentan-2-ol16404-54-9 (R)-(-)-2-Hexanol26549-24-6 Pinacolyl alcohol464-07-3 (S)-(+)-2-Hexanol52019-78-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia