8.20925

2-Octanol

for synthesis

• Synonym(s): 2-Octanol, Hexyl methyl carbinol, 2-Capryl alcohol
• Linear Formula: CH₃(CH₂)₅CH(OH)CH₃
• CAS Number: 123-96-6
• Molecular Weight: 130.23
• UNSPSC Code: 12352104
• EC Index Number: 204-667-0
• NACRES: NA.22
• MDL number: MFCD00004591
• Assay: ≥98% (GC)
• Grade: synthesis grade
• Bp: 177-182 °C/1013 hPa
• Vapor pressure: 0.25 hPa ( 20 °C)

Properties

• grade: synthesis grade
• Quality Segment: 200
• vapor pressure: 0.25 hPa ( 20 °C)
• assay: ≥98% (GC)
• form: oil
• autoignition temp.: 255-260 °C
• potency: 6100 mg/kg LD₅₀, oral (Rat)
• expl. lim.: 0.80-7.40 % (v/v)
• dilution: (for synthesis)
• bp: 177-182 °C/1013 hPa
• mp: -38 °C
• transition temp: flash point 71 °C
• density: 0.82 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: OC(CCCCCC)C
• InChI: 1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
• InChI key: SJWFXCIHNDVPSH-UHFFFAOYSA-N

Description

Application

• Development of a mixed solvent system for the efficient resolution of (R, S)-2-octanol catalyzed by magnetite-immobilized lipase: This study presents a novel solvent system enhancing the enantioselectivity and activity of lipase in the resolution of 2-octanol, a key intermediate in synthesizing chiral building blocks used in drug development (Liu et al., 2014).
• Efficient Kinetic Resolution of (R,S)-2-Octanol Catalyzed by Magnetite-Immobilized Yarrowia lipolytica Lipase in Mixed Ionic Liquids: This research explores using ionic liquids with immobilized lipase for resolving 2-Octanol, crucial for producing enantiopure substances in pharmacological synthesis (Liu et al., 2014).
• Effect of hydrazyl radical on the selectivity of γ-alumina with different sizes of pores for dehydration of 2-octanol through radical elimination mechanism: Investigates the interaction between hydrazyl radicals and 2-octanol on γ-alumina, relevant for understanding catalytic mechanisms in material science (Alidoust et al., 2023).
• Process hazard evaluation for catalytic oxidation of 2-octanol with hydrogen peroxide using calorimetry techniques: Assesses the safety and kinetic parameters of 2-octanol oxidation, important for chemical process design in industrial and academic settings (Sun et al., 2019).
• Enhancing the resolution of (R, S)-2-octanol catalyzed by magnetic cross-linked lipase aggregates using an alternating magnetic field: Describes a method to improve the enantioselective resolution of 2-Octanol using magnetic fields, potentially useful for scaling up chiral resolutions in pharmaceutical manufacturing (Liu et al., 2015).

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.820 - 0.822
Identity (IR): passes test

Safety Information

• pictograms: GHS05
• signalword: Danger
• hcodes: H318
• pcodes: P280 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1
• Storage Class: 10 - Combustible liquids
• wgk: WGK 1
• flash_point_f: 159.8 °F - closed cup
• flash_point_c: 71 °C - closed cup