Structure via PubChem · Public domain (PubChem)
1-octanol
Sign in to saveAlso known as primary octyl alcohol, 1-hydroxyoctane, n-octan-1-ol, n-heptyl carbinol, capryl alcohol, octan-1-ol, caprylic alcohol, hexyl methyl carbinol
1-Octanol, also known as octan-1-ol, is the organic compound with the molecular formula CH3(CH2)7OH. It is a fatty alcohol. Many other isomers are also known generically as octanols. 1-Octanol is manufactured for the synthesis of esters for use in perfumes and flavorings. It has a pungent odor. Esters of octanol, such as octyl acetate, occur as components of essential oils (grapefruit oil, orange oil, bergamot oil, mandarin oil and lime oil). It is used to evaluate the lipophilicity of pharmaceutical products.
Chemical data
- Formula
- C8H18O
- Molecular weight
- 130.23 g/mol
- IUPAC name
- octan-1-ol
- SMILES
- CCCCCCCCO
- InChIKey
- KBPLFHHGFOOTCA-UHFFFAOYSA-N
- XLogP
- 3
- Polar surface area
- 20.2 Ų
- H-bond donors
- 1
- H-bond acceptors
- 1
- Formal charge
- 0
via PubChem
Research
2,117 papers- RIFM fragrance ingredient safety assessment, 1-octanol, CAS registry number 111-87-5.Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association · 2025
- 1-Octanol-assisted ultra-small volume droplet microfluidics with nanoelectrospray ionization mass spectrometry.Analytica chimica acta · 2024
- Improved Bioproduction of 1-Octanol Using Engineered Synechocystis sp. PCC 6803.ACS synthetic biology · 2021
- Production of 1-octanol in Escherichia coli by a high flux thioesterase route.Metabolic engineering · 2020
- 1-Octanol emitted by Oecophylla smaragdina weaver ants repels and deters oviposition in Queensland fruit fly.Scientific reports · 2022
via PubMed
Wikidata facts
- Mass
- 130.136
Show 5 more facts
- chemical formula
- C₈H₁₈O
- canonical SMILES
- CCCCCCCCO
- melting point
- -15.5
- Commons category
- 1-Octanol
- boiling point
- 195.16
via Wikidata · CC0
~3 min read
Article
5 sectionsContents
- Preparation
- Water/octanol partitioning
- Properties and uses
- See also
- References
1-Octanol, also known as octan-1-ol, is the organic compound with the molecular formula CH3(CH2)7OH. It is a fatty alcohol. Many other isomers are also known generically as octanols. 1-Octanol is manufactured for the synthesis of esters for use in perfumes and flavorings. It has a pungent odor. Esters of octanol, such as octyl acetate, occur as components of essential oils (grapefruit oil, orange oil, bergamot oil, mandarin oil and lime oil). It is used to evaluate the lipophilicity of pharmaceutical products.
==Preparation== Octanol is mainly produced industrially by the oligomerization of ethylene using triethylaluminium followed by oxidation of the alkylaluminium products. This route is known as the Ziegler alcohol synthesis. An idealized synthesis is shown: Al(C2H5)3 + 9 C2H4 → Al(C8H17)3 Al(C8H17)3 + 3 O + 3 H2O → 3 HOC8H17 + Al(OH)3 The process generates a range of alcohols, which can be separated by distillation.