Structure via PubChem · Public domain (PubChem)
1-hexanol
Sign in to saveAlso known as hexan-1-ol, n-hexanol, capronyl alcohol, hexyl alcohol, hexanol, 1-hexyl alcohol, caproic alcohol, 1-hydroxyhexane
1-Hexanol (IUPAC name hexan-1-ol) is an organic alcohol with a six-carbon chain and a condensed structural formula of CH3(CH2)5OH. This colorless liquid is slightly soluble in water, but miscible with diethyl ether and ethanol. Two additional straight chain isomers of 1-hexanol, 2-hexanol and 3-hexanol, exist, both of which differing by the location of the hydroxyl group. Many isomeric alcohols have the formula C6H13OH. It is used in the perfume industry.
Chemical data
- Formula
- C6H14O
- Molecular weight
- 102.17 g/mol
- IUPAC name
- hexan-1-ol
- SMILES
- CCCCCCO
- InChIKey
- ZSIAUFGUXNUGDI-UHFFFAOYSA-N
- XLogP
- 2
- Polar surface area
- 20.2 Ų
- H-bond donors
- 1
- H-bond acceptors
- 1
- Formal charge
- 0
via PubChem
Research
1,347 papers- Comprehensive review of 2-ethyl-1-hexanol as an indoor air pollutant.Journal of occupational health · 2019
- Fragrance material review on 3,5,5-trimethyl-1-hexanol.Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association · 2010
- Fragrance material review on 2-ethyl-1-hexanol.Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association · 2010
- 2-ethyl-1-hexanol: a promising molecule against priority fungal pathogens.Journal of applied microbiology · 2025
- Influence of 1-Hexanol/Waste Plastic Oil Blends on Combustion, Performance, and Emission Characteristics of a Common Rail Direct Injection Diesel Engine.ACS omega · 2025
via PubMed
Wikidata facts
- Mass
- 102.104
Show 6 more facts
- Commons category
- 1-Hexanol
- chemical formula
- C₆H₁₄O
- canonical SMILES
- CCCCCCO
- melting point
- -44.6
- ionization energy
- 9.89
- boiling point
- 157.6
via Wikidata · CC0
~2 min read
Article
6 sectionsContents
- Preparation
- Alternative methods
- Occurrence in nature
- See also
- References
- External links
1-Hexanol (IUPAC name hexan-1-ol) is an organic alcohol with a six-carbon chain and a condensed structural formula of CH3(CH2)5OH. This colorless liquid is slightly soluble in water, but miscible with diethyl ether and ethanol. Two additional straight chain isomers of 1-hexanol, 2-hexanol and 3-hexanol, exist, both of which differing by the location of the hydroxyl group. Many isomeric alcohols have the formula C6H13OH. It is used in the perfume industry.
==Preparation== Hexanol is produced industrially by the oligomerization of ethylene using triethylaluminium followed by oxidation of the alkylaluminium products. An idealized synthesis is shown: Al(C2H5)3 + 6C2H4 → Al(C6H13)3 Al(C6H13)3 + O2 + 3H2O → 3HOC6H13 + Al(OH)3 The process generates a range of oligomers that are separated by distillation.