Structural formula
| Business number | 02WE |
|---|---|
| Molecular formula | C6H14O |
| Molecular weight | 102.17 |
| label |
4-hydroxy-2-methylpentane, Methylpentanol, Methyl Indocarboxylic Acid, Isobutyl methyl carbinol, sec-Hexyl Alcohol, Methyl amyl carbinol, (CH3)2CHCH2CH(OH)CH3, medium boiling point solvent, Inert solvent for nitrocellulose paint, mineral flotation detergent, brake fluid, Extracting agent |
Numbering system
CAS number:108-11-2
MDL number:MFCD00004550
EINECS number:203-551-7
RTECS number:SA7350000
BRN number:1098268
PubChem number:24846945
Physical property data
1. Properties: Colorless and transparent liquid with strong pungent odor.
2. Boiling point (ºC, 101.3kPa): 131.7
3. Boiling point (ºC, 6.67kPa): 62
4. Boiling point (ºC, 1.33 kPa): 32
5. Boiling point (ºC, 0.67kPa): 20
6. Relative density (g/mL, 20/4ºC): 0.8076
7. Relative vapor density (g/mL, air=1): 3.52
8. Refractive index (n20ºC): 1.4112
9. Viscosity (mPa·s, 20ºC) : 4.59
10. Flash point (ºC, open): 46
11. Heat of evaporation (KJ/kg): 414.07
12. Specific heat capacity (KJ /(kg·K), 25ºC, constant pressure): 2.74
13. Critical temperature (ºC): 312
14. Critical pressure (MPa): 4.30
15. Conductivity (S/m, 25ºC): 7×10-8
16. Freezing point (ºC): -90
17. Explosion lower limit (%, V/V): 1.0
18. Explosion upper limit (%, V/V): 5.5
19. Volume expansion coefficient (K -1): 0.00082
20. Solubility (%, water, 20ºC): 1.7
21. Solubility: soluble in water, able to mix with alcohol, ether, Most common organic solvents such as hydrocarbons are miscible.
22. Relative density (25℃, 4℃): 0.8033
23. Refractive index at room temperature (n25): 1.4090
24. Solubility parameter (J·cm-3)0.5: 19.365
25. van der Waals area (cm2 ·mol-1): 1.031×1010
26. van der Waals volume (cm3 ·mol-1): 72.840
27. Liquid phase standard heat of combustion (enthalpy) (kJ·mol-1): -3967.14
28. Liquid phase standard claims heat (enthalpy) (kJ·mol-1): -394.72
29. Liquid phase standard hot melt (J·mol -1·K-1): 248.9
30. Gas phase standard combustion heat (enthalpy) (kJ·mol-1): 4025.84
31. The gas phase standard claims heat (enthalpy) (kJ·mol-1): -336.02
Toxicological data
1. Acute toxicity: Oral LD50 in rats: 2590mg/kg; LCLo by inhalation in rats: 2000ppm/4H;
Oral LDLo in mice: 1mg/kg; Intraperitoneal LD50 in mice : 812mg/kg;
Rabbit skin contact LD50: 3560uL/kg;
2. It is irritating to the skin and can damage the eyes. The maximum allowable concentration in the workplace is 100 mg/m3. The U.S. Occupational Safety and Health Administration stipulates that the maximum allowable exposure concentration in the air is 104 mg/m3.
Ecological data
Olfaction threshold concentration in the air: 0.25ppm BOD5 (five-day biological oxygen demand): 2.12g (oxygen)/g (sample) (Helan standard) COD (chemical oxygen demand): 2.60g (oxygen)/ g(sample)(Helan standard)
Molecular structure data
1. Molar refractive index: 31.29
2. Molar volume (cm3/mol): 125.8
3. Isotonic specific volume (90.2K ): 282.3
4. Surface tension (dyne/cm): 25.3
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 12.40
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.7
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: 41.4
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
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
1. Avoid contact with strong oxidants. It has the chemical reactivity of secondary alcohols. Containing asymmetric carbon atoms, there are two optical isomers. The contained product is a racemate. The dextrorotatory isomer (form d) is prepared from the strychnine salt of the acidic phthalate ester, [α] 21.3D +20.4°. The levorotatory isomer (type I) is prepared from the strychnine salt of the acidic succinate ester, [α]14D -20.8°.
2.Toxic, oral LD502.6g/kg in mice. The vapor has irritating effects on skin and mucous membranes. Long-term exposureCan cause headaches and other symptoms. If vapors are inhaled, move to fresh air immediately. After skin contact, rinse with plenty of water. The maximum allowable concentration in the air is 100 mg/m3. Operators should wear protective equipment.
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.
Packed in 200L iron drums, each drum contains 150kg. Store and transport according to regulations on toxic chemicals.
Synthesis method
First, acetone is converted into diacetone alcohol by compression and synthesis in the presence of an alkaline catalyst (see 11360). The catalyst used is calcium hydroxide or barium hydroxide. When the catalyst particles are small and the surface area is large, this liquid-phase contact reaction is close to a homogeneous reaction. The reaction process releases heat, and the equilibrium conversion rate is large at low temperatures. Therefore, the raw material acetone needs to be pre-cooled, and the reaction is operated at 0-10°C. Then, diacetone alcohol is dehydrated to produce mesitylacetone. The two-liang ketone alcohols obtained in the process, generally with a content of 10-15%, are concentrated to 80% by atmospheric distillation, and unconverted acetone is separated and recovered at the same time. In the presence of acidic catalysts such as nitric acid, boric acid or benzenesulfonic acid, when heated to 100-200°C, diacetone alcohol is dehydrated to produce isopropylidene acetone, with a conversion rate of 80-85%. However, diacetone alcohol can be thermally decomposed into acetone, so the dehydration product needs to recover the acetone in the base. The last step of the reaction is the hydrogenation of isopropylidene ketones to form 4-methyl-2-pentanol. In fact, if nickel or copper is used as the catalyst and the gas phase hydrogenation is carried out under normal pressure under relatively mild conditions, more partial hydrogenation product methyl isobutyl ketone will be obtained. When the temperature is controlled to 170-210°C and the molar ratio of hydrogen to mesopropylidene acetone is increased, the complete hydrogenation product methyl isobutylmethanol is more likely to be obtained. Under normal circumstances, what is obtained is a mixture of the two, and a vacuum distillation system is used for distillation and separation. It can also be made from methyl-isobutyl (methyl) ketone through nickel catalytic hydrogenation, and then fractionated through a distillation tower to obtain the finished product.
Purpose
4-Methyl-2-pentanol is an excellent medium boiling point solvent. Mainly used as a solvent for dyes, petroleum, rubber, resin, paraffin, nitrocellulose and ethylcellulose, etc., and as an inert solvent for nitrocellulose paint, which can increase the gloss and smoothness of the paint and improve the redness performance; Used as a solvent in lubricating oil additive manufacturing. Used as raw materials for organic synthesis, mineral flotation detergents, such as extraction of silicon and copper sulfate ore; it can also be used in brake fluids. It is also used as a foaming agent, dispersant, detergent, plasticizer, surfactant, lubricant and in the manufacture of cosmetics and pharmaceuticals for the photographic industry.
When �� is large, the complete hydrogenation product methyl isobutylmethanol is more likely to be obtained. Under normal circumstances, what is obtained is a mixture of the two, and a vacuum distillation system is used for distillation and separation. It can also be made from methyl-isobutyl (methyl) ketone through nickel catalytic hydrogenation, and then fractionated through a distillation tower to obtain the finished product.
Purpose
4-Methyl-2-pentanol is an excellent medium boiling point solvent. Mainly used as a solvent for dyes, petroleum, rubber, resin, paraffin, nitrocellulose and ethylcellulose, etc., and as an inert solvent for nitrocellulose paint, which can increase the gloss and smoothness of the paint and improve the redness performance; Used as a solvent in lubricating oil additive manufacturing. Used as raw materials for organic synthesis, mineral flotation detergents, such as extraction of silicon and copper sulfate ore; it can also be used in brake fluids. It is also used as a foaming agent, dispersant, detergent, plasticizer, surfactant, lubricant and in the manufacture of cosmetics and pharmaceuticals for the photographic industry.
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