Octyl Butyrate Octyl Butyrate
Structural formula
| Business number | 0313 |
|---|---|
| Molecular formula | C12H24O2 |
| Molecular weight | 200.32 |
| label |
n-octyl butyrate, n-Octyl butanoate, aliphatic compounds |
Numbering system
CAS number:110-39-4
MDL number:MFCD00048939
EINECS number:203-762-4
RTECS number:None
BRN number:None
PubChem number:24901186
Physical property data
1. Properties: colorless oily liquid
2. Density (g/mL, 25℃): 0.862
3. Relative density (20℃, 4℃): 0.8634
4. Melting point (ºC): -55.6
5. Boiling point (ºC, normal pressure): 224.1
6. Relative density (25℃, 4℃): 0.8593
7. Refractive index: 1.425
8. Flash point (ºC): 103
9. Refractive index at room temperature (n20): 1.4252
10. Refractive index at room temperature (n25): 1.4229
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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19 . Solubility: miscible with ethanol, insoluble in water.
Toxicological data
None yet
Ecological data
This substance is slightly harmful to water bodies.
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 59.41
2. Molar volume (cm3/mol): 230.0
3. Isotonic specific volume (90.2K): 534.3
4. Surface tension (dyne/cm): 29.0
5. Polarizability (10-24cm3): 23.55
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 4.2
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 10
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 26.3
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 132
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters.��0
12. The number of uncertain stereocenters of atoms: 0
13. The number of determined stereocenters of chemical bonds: 0
14. Uncertain chemical bonds Number of stereocenters: 0
15, Number of covalent bond units: 1
Properties and stability
It does not decompose under normal temperature and pressure. Avoid contact with oxidants.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. should be kept away from oxidizer, do not store together. 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
None yet
Purpose
Used as solvent, organic synthesis.
