3-Hydroxy-3-methylpentanoic acid
Structural formula
| Business number | 03YK |
|---|---|
| Molecular formula | C6H12O3 |
| Molecular weight | 132.16 |
| label |
β-Hydroxy-β-methylpentanoic acid, 3-Hydroxy-3-methylpentanoic acid, acidic solvent |
Numbering system
CAS number:150-96-9
MDL number:None
EINECS number:None
RTECS number:None
BRN number:1752845
PubChem ID:None
Physical property data
1. Physical property data:
1. Boiling point (ºC, 19 mmHg): 144 (2533pa)
2. Density (g/mL, 25/4℃): 1.08
3. Flash point (ºC): 119.5
4. Relative density (d204) : 1.0898
Toxicological data
None
Ecological data
3. Ecological data:
Usually it is not harmful to water. Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 32.91
2. Molar volume (cm3/mol): 119.7
3. Isotonic specific volume (90.2K): 304.4
4. Surface tension (dyne/cm): 41.7
5. Polarizability (10-24cm3): 13.04
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.2
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 57.5
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 111
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. Stable under normal temperature and pressure.
2. Found in oriental tobacco leaves.
Storage method
Store sealed in a dry and cool place.
Synthesis method
1. Tobacco: OR, 26.
Purpose
None