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