472328

1-Octanol

ACS reagent, ≥99%

• Synonym(s): Alcohol C₈, Capryl alcohol, Octyl alcohol
• Linear Formula: CH₃(CH₂)₇OH
• CAS Number: 111-87-5
• Molecular Weight: 130.23
• Beilstein/REAXYS Number: 1697461
• EC Number: 203-917-6
• MDL number: MFCD00002988
• UNSPSC Code: 12352104
• PubChem Substance ID: 329757303

Properties

• grade: ACS reagent
• Quality Level: 200
• vapor density: 4.5 (vs air)
• vapor pressure: 0.14 mmHg ( 25 °C)
• assay: ≥99%
• form: liquid
• autoignition temp.: 523 °F
• expl. lim.: 8 %
• impurities: ≤0.0002 meq/g Titr. acid
• evapn. residue: ≤0.004%
• color: APHA: ≤10; clear
• refractive index: n20/D 1.429 (lit.)
• bp: 196 °C (lit.)
• mp: −15 °C (lit.)
• solubility: water: partially soluble 107 g/L at 23 °C
• density: 0.827 g/mL at 25 °C (lit.)
• SMILES string: CCCCCCCCO
• InChI: 1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
• InChI key: KBPLFHHGFOOTCA-UHFFFAOYSA-N
• Gene Information: mouse ... Chrna1(11435)

Description

General description

1-Octanol (n-octanol) is a monohydroxy alcohol that can be found in essential oils as the butyrate and acetate. It can be synthesized with high selectivity from biomass-derived furfural-acetone (FFA) in the presence of Pd/NbOPO₄ (palladium/ niobium oxide phosphate) catalyst. Formation of octyl ether and octyl ester compounds from Chinese fir sawdust by liquefaction in the presence of acidic ionic liquids (AILs) has been reported. The performance of molybdenum carbide/zirconium dioxide (Mo₂C/ZrO₂) catalyst for the hydrodeoxygenation (HDO) of phenol has been analyzed in 1-octanol. 1-Octanol shows promising combustion properties to be employed as a biofuel for spark-ignition engines.

Application

• Characterization of Volatile Compounds: This study utilizes 1-Octanol in the analysis of volatile compounds in Valencia orange juice. It highlights its use in the food industry, particularly in quality control and assurance, which is essential for researchers and professionals in the food science sector (Han et al., 2024).


• Noncontact In Situ Multidiagnostic NMR/Dielectric Spectroscopy: The study discusses the application of 1-Octanol in developing noncontact diagnostic techniques, beneficial for chemists and material scientists involved in analytical and diagnostic methodologies (Morais et al., 2024).


• Extraction of Bisphenols from Beverages: Highlighting its use in food safety and environmental testing, this study employs 1-Octanol based frameworks for detecting contaminants in consumer products, essential for ensuring public health and safety in the food industry (Cheng et al., 2024).

Biochem/physiol Actions

Blocks T-type Ca²⁺ channels

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H319,H412
• pcodes: P264 - P273 - P280 - P305 + P351 + P338 - P337 + P313 - P501
• Hazard Classifications: Aquatic Chronic 3 - Eye Irrit. 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 1
• flash_point_f: 187.7 °F
• flash_point_c: 86.5 °C