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1-Octanol

Catalog Number
ACM111875-2
CAS
111-87-5
Structure
IUPAC Name
Octan-1-ol
Synonyms
Heptyl carbinol
Molecular Weight
130.23
Molecular Formula
C8H18O
Canonical SMILES
CCCCCCCCO
InChI
InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChI Key
KBPLFHHGFOOTCA-UHFFFAOYSA-N
Boiling Point
196 °C(lit.)
Melting Point
-15 °C(lit.)
Flash Point
178 °F
Purity
99%
Density
0.827 g/mL at 25 °C(lit.)
Solubility
Partially soluble in water
Appearance
Liquid
Storage
Store below +30 °C
Active Content
95%
Physical State
Liquid
Typical Applications
Use as solvent, high-boiling solvent.
For example, used in resins, paints.
Use as dispersing agent, emulsifying agent.
Spec Sheet
Case Study

Preparation of Caprylic Acid and Its Caprylate Esters via Base-Free Direct Oxidation of 1-Octanol

Preparation of Caprylic Acid and Its Caprylate Esters via Base-Free Direct Oxidation of 1-Octanol Ishida, Tamao, et al. ChemSusChem 5.11 (2012): 2243-2248.

By selecting an appropriate gold nanoparticle (Au NPs) support, the inert fatty alcohol 1-octanol can be directly oxidized to caprylic acid and caprylate esters without the use of base.
Typical Experiment for the Aqueous Oxidation of 1-Octanol: In a high-pressure reactor, add 1-octanol (1.26 mL, 8 mmol), H2O (3 mL), Au catalyst (Au 0.1 mol %), and a magnetic stirring bar. Purge the reactor and fill it with O2 until the pressure reaches 0.5 MPa. Stir the reaction mixture at 100 °C for 18 hours. After the reaction, extract the mixture with Et2O, dry the organic layer with Na2SO4, and filter it. Analyze the filtrate using GC-MS and GC with benzyl ether as the internal standard.

Preparation of Di-n-octyl Ether via Dehydration of 1-Octanol

Preparation of Di-n-octyl Ether via Dehydration of 1-Octanol Bringué, Roger, et al. Applied Catalysis A: General 545 (2017): 10-16.

The dehydration of 1-octanol can be successfully carried out in the presence of an acidic sulfonic acid ion-exchange resin, which can be used for the synthesis of di-n-octyl ether (DNOE).
Experimental Procedure: Add 400 g of 1-octanol and 9 g of dry catalyst into the reactor, stir (700 rpm), and heat to the desired temperature. The initial time for the experiment is chosen when the reaction mixture begins to boil. The vapor is cooled and condensed in a Dean & Stark trap. Water, 1-octanol, and olefins are collected, and the organic phase (mostly 1-octanol) is returned to the reactor. The experiment ends when the amount of water separated equals the theoretical amount of 1-octanol required for complete conversion. At the end of the experiment, the remaining liquid in the reactor and the contents of the trap (aqueous phase and organic phase) are analyzed.

Determination of the Partition Coefficient of Acylated Myricetin Using 1-Octanol

Determination of the Partition Coefficient of Acylated Myricetin Using 1-Octanol Cho, Sora, et al. Scientific Reports 13.1 (2023): 5136.

In this study, myricetin was acylated with vinyl propionate (VP) or vinyl octanoate (VO) as acyl donors in the presence or absence of CaLB and trimethylamine (TMA) as the enzyme and chemical catalysts. The lipophilicity and physicochemical stability of the isolated acylated myricetin were evaluated using the 1-octanol/water partition coefficient (logP) and ultraviolet/visible (UV/Vis) absorption spectra, respectively.
Determination of Partition Coefficient: The logP value was determined to quantify the lipophilicity or hydrophilicity of the isolated acylated myricetin. Add 1 mg of the isolated acylated myricetin to a 2 mL microtube, followed by 500 μL of n-octanol. Vortex for 1 minute and sonicate (bath sonicator) for 5 minutes. Then, add 500 μL of deionized distilled water (DDW) and vortex the mixture for 5 minutes. Centrifuge at 25 °C with a relative centrifugal force of 3000 rpm for 10 minutes to separate the phases. Collect 40 μL from the upper phase (n-octanol) and 100 μL from the lower phase (DDW), then dilute each with 1.96 mL of n-octanol and 100 μL of DMSO, respectively. Quantify the solute in the upper and lower phases using a microplate reader based on the standard curve plotted from the UV/Vis absorbance spectra (250-600 nm). Finally, calculate the logP value using the formula log(coctanol/cDDW), where coctanol and cDDW represent the concentrations of the solute in the upper and lower phases, respectively.

Custom Q&A

What is the CAS number for 1-Octanol?

The CAS number for 1-Octanol is 111-87-5.

What is the molecular formula of 1-Octanol?

The molecular formula of 1-Octanol is C8H18O.

What is the boiling point of 1-Octanol?

The boiling point of 1-Octanol is 194-196℃.

What is the melting point of 1-Octanol?

The melting point of 1-Octanol is -16°C.

What is the flash point of 1-Octanol?

The flash point of 1-Octanol is 81°C.

What is the purity of 1-Octanol as an ACS reagent?

The purity of 1-Octanol as an ACS reagent is ≥99%.

What is the density of 1-Octanol?

The density of 1-Octanol is 0.824.

In what physical state is 1-Octanol?

1-Octanol is in a liquid physical state.

What are some typical applications of 1-Octanol?

Some typical applications of 1-Octanol are its use as a solvent, high-boiling solvent, in resins, paints, and as a dispersing agent and emulsifying agent.

What is the molecular weight of 1-Octanol?

The molecular weight of 1-Octanol is 130.23.

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