Octaylamine Octaylamine
Structural formula
| Business number | 034H |
|---|---|
| Molecular formula | C8H19N |
| Molecular weight | 129.24 |
| label |
1-octylamine, n-octylamine, 1-Aminooctane, n-octylamine, amine octane, 1-Aminooctane, n-Octylamine, Caprylamine, linear compound |
Numbering system
CAS number:111-86-4
MDL number:MFCD00008247
EINECS number:203-916-0
RTECS number:RG8050000
BRN number:1679227
PubChem number:24886765
Physical property data
1. Properties: colorless liquid
2. Density (g/mL, 20℃): 0.78
3. Relative vapor density (g/mL, air=1 ): Undetermined
4. Melting point (ºC): 0
5. Boiling point (ºC, normal pressure): 179.6
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index (n20D): 1.4292
8. Flash point (ºC): 62
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16 . The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined
17. The upper limit of explosion (%, V/V): Undetermined
18. The lower limit of explosion (%) ,V/V): Undetermined
19. Solubility: Slightly soluble in water, easily soluble in ethanol or ether.
Toxicological data
LD50: 100 mg/kg (mouse abdominal cavity)
Ecological data
Highly toxic to fish.
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 42.64
2. Molar volume (cm3/mol): 164. .2
3. Isotonic specific volume (90.2K): 379.4
4. Surface tension (dyne/cm): 28.4
5. Polarizability ( 10-24cm3): 16.90
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: 6
5. Number of tautomers: None
6. Topological molecule polar surface area 26
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 43.8
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determined number of chemical bond stereocenters: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Highly toxic to fish.
2. Exist in oriental tobacco leaves and mainstream smoke.
3. Highly toxic!
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, acids, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
1. Prepared by reaction of octanoic acid and ammonia, dehydration and hydrogenation.
2. Tobacco: OR, 18.
Purpose
Uses: Used as intermediates for pesticides, surfactants, and pharmaceutical synthesis.
