Butyraldehyde oxime Butyraldehyde oxime
Structural formula
| Business number | 031U |
|---|---|
| Molecular formula | C4H9NO |
| Molecular weight | 87.12 |
| label |
Butyral oxime, n-butyraldehyde oxime, linear compound |
Numbering system
CAS number:110-69-0
MDL number:None
EINECS number:203-792-8
RTECS number:ES3500000
BRN number:1698799
PubChem ID:None
Physical property data
1. Properties: colorless, transparent, oily liquid. [1]
2. Melting point (℃): -29.5[2]
3. Boiling point (℃): 152[3]
4. Relative density (water = 1): 0.923[4]
5. Relative vapor Density (air=1): 3.01[5]
6. Saturated vapor pressure (kPa): 0.266 (20℃)[6]
7. Octanol/water partition coefficient: 0.780[7]
8. Flash point (℃): 57.8 (CC) [8 ]
9. Solubility: Easily soluble in ethanol and ether. [9]
Toxicological data
1. Acute toxicity[10]
LD50: 200mg/kg (mouse abdominal cavity)
2. Irritation No information available
3. Others[11] LDLo: 100mg/kg (rabbit oral)
Ecological data
1. Ecotoxicity No data available
2. Biodegradability No data available
3 .Non-biodegradability No information available
Molecular structure data
1. Molar refractive index: 24.69
2. Molar volume (cm3/mol): 97.4
3. Isotonic specific volume (90.2K ): 226.6
4. Surface tension (dyne/cm): 29.3
5. Polarizability (10-24cm3): 9.79
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.8
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 2
6. Topological molecular polar surface area (TPSA): 32.6
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 42.8
10. Number of isotope atoms : 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the chemical bond configuration Number of centers: 1
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Stability[12] Stable
2. Incompatible substances[13] Strong oxidizing agent
3. Polymerization hazard[14] No polymerization
Storage method
Storage Precautions[15] Store in a cool, ventilated place.��Warehouse. The storage temperature should not exceed 37°C. Keep away from fire and heat sources. Avoid light. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None yet
Purpose
1. Used as organic reagent. [16]