3-Methyl-3-pentanol 3-Methyl-3-pentanol
Structural formula
| Business number | 01M2 |
|---|---|
| Molecular formula | C6H14O |
| Molecular weight | 102.17 |
| label |
diethylmethylmethanol, Diethylmetylcarbinol, Methyl-3 pentanol-3, Methyldiaethylcarbinol, (CH3CH2)2C(CH3)OH |
Numbering system
CAS number:77-74-7
MDL number:MFCD00004483
EINECS number:201-053-4
RTECS number:SA7450000
BRN number:1731456
PubChem number:24885795
Physical property data
1. Properties: colorless liquid
2. Density (g/mL, 25/4℃): 0.8281
3. Relative density (25℃, 4℃) :0.8238
4. Melting point (ºC): -23.6°C
5. Boiling point (ºC, normal pressure): 123.4°C
6. Normal temperature Refractive index (n20): 1.4186
7. Refractive index: 1.4186
8. Flash point (ºC): 46°C
9. Specific optical rotation (º): 22° (c=8,6N HCl)
10. Refractive index at room temperature (n25): 1.4163
11. Vapor pressure (kPa, 25ºC): Uncertain
12. Saturated vapor pressure (kPa, 60ºC): Uncertain
13. Heat of combustion (KJ/ mol): Uncertain
14. Critical temperature (ºC): 302.45
15. Critical pressure (MPa): 3.52
16. Oil and water (octanol /water) distribution coefficient: Uncertain
17. Explosion upper limit (%, V/V): Uncertain
18. Explosion lower limit (%, V/V) : Uncertain
19. Solubility: Insoluble in water, miscible in alcohol, ether, etc.
Toxicological data
1. Acute toxicity
Rat caliber LD50: 710mg/kg; mouse caliber LD50: 750mg/kg;
Mouse subcutaneous LD50: 1100mg/kg;
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Ecological data
None yet
Molecular structure data
1. Molar refractive index: 31.34
2. Molar volume (cm3/mol): 125.1
3. Isotonic specific volume (90.2K ): 282.6
4. Surface tension (dyne/cm): 26.0
5. Polarizability (10-24cm3): 12.42
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: 2
5. Number of tautomers: None
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms :7
8. Surface charge: 0
9. Complexity: 46.1
10. Number of isotope atoms: 0
11 .Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
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
None yet
Storage method
Store in a sealed container at room temperature.
Synthesis method
None yet
Purpose
Used as a solvent and also used in organic synthesis
