Methylpentynol 3-Methyl-1-pentyn-3-ol
Structural formula
| Business number | 01M3 |
|---|---|
| Molecular formula | C6H10O |
| Molecular weight | 98.14 |
| label |
3-methyl-1-pentyn-3-ol, 2-Ethyne-2-butanol, mevalinol, 3-Methyl-1-pentyn-3-ol, Methyl ethyl ethynyl carbinol, Methyl Ethyl Ethynyl Carbinol, Allotropal, Ethinyl methyl ethyl carbinol, Methyl ethyl acetylenyl carbinol, CH≡CC(OH)(CH3)CH2CH3, acid etching inhibitor, viscosity stabilizer, Multifunctional solvent |
Numbering system
CAS number:77-75-8
MDL number:MFCD00004479
EINECS number:201-055-5
RTECS number:SC4900000
BRN number:969340
PubChem number:24885845
Physical property data
1. Properties: colorless low-viscosity liquid
2. Density (g/mL, 20/4℃): 0.8688
3. Melting point (ºC): 30.5
4. Boiling point (ºC, normal pressure): 120.5
5. Refractive index (n20ºC): 1.4310
6. Flash point (ºC): 26
7. Solubility: Miscible with organic solvents such as acetone, benzene, carbon tetrachloride and cyclohexanone. The solubility in water at 25°C is 12.8%, and it is soluble in ether.
Toxicological data
1. Acute toxicity
Rat abdominal cavity LD50: 537mg/kg; mouse abdominal cavity LD50: 525mg/kg;
Mouse abdominal cavity LD50: 525mg/kg; mouse Subcutaneous LD50:284mg/kg;
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 29.17
2. Molar volume (cm3/mol): 108.8
3. Isotonic specific volume (90.2K ): 261.6
4. Surface tension (dyne/cm): 33.3
5. Polarizability (10-24cm3): 11.56
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: 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: 98
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertainty principle��Number of stereocenters: 1
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
It is easy to cause combustion when exposed to open flames, high heat or oxidants. Harmful if taken orally. Avoid inhalation of vapors.
Storage method
Ventilated, dry, fireproof, explosion-proof, sealed storage. It should be protected from violent impacts, sun and rain.
Synthesis method
Obtained from the reaction of acetylene and methyl ethyl ketone.
Purpose
Mainly used in the production of pharmaceutical and pesticide intermediates, as a hypnotic agent for the transportation of live fish, as a special solvent, as a polishing agent for nickel or copper plating, a viscosity reducer, a viscosity stabilizer, a stabilizer for chlorinated hydrocarbons, and for high-temperature acidification of deep oil wells. Corrosion inhibitor in liquid for organic synthesis.
