3-hydroxy-3-methylpentanoic acid

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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