Structural formula
| Business number | 037S |
|---|---|
| Molecular formula | C5H10O2 |
| Molecular weight | 102.13 |
| label |
2-Hydroxy-2-methyl-3-butanone, aliphatic compounds |
Numbering system
CAS number:115-22-0
MDL number:MFCD00004460
EINECS number:204-073-1
RTECS number:None
BRN number:1616385
PubChem number:24895606
Physical property data
1. Characteristics: Colorless liquid
2. Density (g/mL, 20℃): 0.96
3. Relative vapor density (g/mL,Air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,normal pressure):140-141
6. Boiling point (ºC,KPa)：Undetermined
7. Refractive index （n20/D）：Undetermined
8. Flashpoint (ºC): 42
9. Specific optical rotation (ºC): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,38ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16 . The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None yet
Ecological data
Slightly harmful to water.
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 26.74
2. Molar volume (m3/mol）：105.7
3. isotonic specific volume (90.2K):247.9
4. Surface Tension (dyne/cm):30.2
5. Polarizability（10-24cm3):10.60
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -0.1
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
p>
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 2
6. Topological molecule polar surface area 37.3
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 84.1
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
Avoid contact with oxidants, acids, reducing agents, and alkalis.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. They should be stored separately from oxidants, acids, and reducing agents, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Reservoir
Suitable materials should be available to contain spills.
Synthesis method
None yet
Purpose
None yet
left; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>3. Isotonic specific volume (90.2K ): 247.9
4. Surface Tension (dyne/cm):30.2
5. Polarizability（10-24cm3):10.60
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -0.1
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
p>
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 2
6. Topological molecule polar surface area 37.3
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 84.1
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
Avoid contact with oxidants, acids, reducing agents, and alkalis.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. They should be stored separately from oxidants, acids, and reducing agents, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Reservoir
Suitable materials should be available to contain spills.
Synthesis method
None yet
Purpose
None yet
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