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