4-Methoxy-4-methyl-2-pentanone 4-Methoxy-4-methyl-2-pentanone
Structural formula
| Business number | 02VN |
|---|---|
| Molecular formula | C7H14O2 |
| Molecular weight | 130.18 |
| label |
4-methoxy-4-methyl-2-pentanone, 4-methoxy-4-methylpentan-2-one, 4-Methoxy-4-Methylpentan-2-One |
Numbering system
CAS number:107-70-0
MDL number:MFCD00043932
EINECS number:203-512-4
RTECS number:SA7000000
BRN number:None
PubChem ID:None
Physical property data
1. Properties: colorless liquid.
2. Density (g/mL, 25℃): Undetermined
3. Relative density (25℃, 4℃): 0.900
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): 160
6. Boiling point (ºC, kPa): Undetermined
7. Refractive index at room temperature (n25): 1.4159
8. Flash point (ºC): 48
9. Specific rotation (ºC): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, ºC): Undetermined
12 . Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
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15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
1. Skin/eye irritation
Standard Draize test: rabbit, skin contact: 500mg, severity of reaction: moderate.
2. Acute toxicity: rat oral LDLo: 3mg/kg; mouse oral LD50: 2050mg/kg; mouse inhalation LCLo: 2280ppm/15H;
Rabbit Skin contact LDLo: 3mg/kg;
Ecological data
This substance is harmful to the environment, and special attention should be paid to atmospheric pollution.
Molecular structure data
1. Molar refractive index: 36.21
2. Molar volume (cm3/mol): 147.6
3. Isotonic specific volume (90.2K ): 330.4
4. Surface tension (dyne/cm): 25.1
5. Polarizability (10-24cm3): 14.35
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.4
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 3
6. Topological molecule polar surface area 26.3
7.Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 106
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 chemical bond stereocenters Number of centers: 0
15. Number of covalent bond units: 1
Properties and stability
Avoid contact with strong oxidizing agents.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 30℃. 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
Purpose
None
