2-Octanol 2-Octanol

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:123-96-6

MDL number:MFCD00004591

EINECS number:204-667-0

RTECS number:RH0795000

BRN number:1719325

PubChem number:24886738

Physical property data

1. Properties: Colorless, flammable oily liquid with aromatic odor

2. Boiling point (ºC, 101.3kPa): 179.8

3. Melting point (ºC): – 32

4. Relative density (g/mL, 20/4ºC): 0.8207

5. Relative density (25℃, 4℃): 0.8171

6. Refractive index (n20ºC): 1.4261

7. Viscosity (mPa·s, 20ºC): 8.2

8. Flash point (ºC, opening): 82

9. Critical temperature (ºC): 364.0

10. Solubility (%, 20ºC, water): <0.05

11. Solubility: can be mixed with alcohol, ether, Most organic solvents such as aromatic hydrocarbons and aliphatic hydrocarbons are miscible and slightly soluble in water.

12. Refractive index at room temperature (n²⁵): 1.4241

13. Critical pressure (MPa): 2.754

14. Critical density (g·cm^-3): 0.2651

15. Critical volume (cm³·mol^-1 ): 519

16. Critical compression factor: 0.273

17. Eccentricity factor: 0.5906

18. Liquid phase standard hot melt (J·mol^-1·K^-1): 306.4

Toxicological data

1. Acute toxicity: unknown mammalian LD50: 6934mg/kg

2. It is of low toxicity and has mild irritation to the skin. ratOral LD50: >3200mg/kg; Guinea pig transdermal LD50: >500mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 40.60

2. Molar volume (cm³/mol): 158.4

3. Isotonic specific volume (90.2K ): 364.5

4. Surface tension (dyne/cm): 28.0

5. Polarizability (10^-24cm³): 16.09

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 52.5

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Flammable liquids. It is non-corrosive to metals, has low vapor pressure and is not dangerous to use under normal conditions. It has the chemical reactivity of secondary alcohols. It reacts with acid in the presence of a catalyst to form an ester. Oxidation produces aldehydes or acids. Dehydrated to olefins under the action of aluminum oxide. There are optical isomers of 2-octanol, and its acid phthalate ester can be isolated under the action of strychnine.

2.Low toxicity, slightly bactericidal. Mouse oral LD501795mg/kg. Slightly unpleasant odor. Production equipment should be sealed to prevent leakage. Operators should wear protective equipment.
　

Storage method

1. Sealed storage at room temperature, available in iron, mild steel, copper or aluminum containers.

2. Packed in 240L iron drum. Store in a cool, ventilated and dry place. Pay attention to fire protection and sun protection. Store and transport according to general regulations on flammable liquid chemicals.

Synthesis method

Ricinoleic acid is obtained by hydrolysis of castor oil, reacts with alkali to obtain its sodium salt, undergoes chain scission reaction under strong alkali and high temperature, and is separated and evaporated to obtain the finished product.

Refining method Use 15% sulfurous acid After washing with sodium hydrogen, it is distilled. Or treat it with phenylhydrazine, wash it and then distill it.

Purpose

1. Used in the manufacture of plasticizers, synthetic fiber oils, defoaming agents, mineral flotation agents, pesticide emulsifiers and fragrances, and can also be used as solvents for greases and waxes. Used as a solvent for nitrocellulose spray paint and enamel paint, it can improve ductility, gloss and fluidity. It is also used as fiber wetting agent, brake oil, anti-emulsifier and raw material for manufacturing plasticizers and fragrances. In addition, 2-octanol is still used to adjust the viscosity of urea-formaldehyde resin.

2.Esterifies with phthalic anhydride to form dioctyl phthalate, which is an excellent plasticizer for polyvinyl chloride plastics. 2-Octanol is also used as a synthetic fiber oil agent, defoaming agent and raw material for preparing surfactants, flotation agents for coal mines and pesticide emulsifiers. It can also be used as a solvent for greases and waxes.