Undecanoic Acid Undecanoic 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:112-37-8

MDL number:MFCD00002730

EINECS number:203-964-2

RTECS number:YQ2275000

BRN number:1759287

PubChem number:24889267

Physical property data

1. Character: colorless crystal

2. Relative density: 0.8907

3. Melting point (℃): 28.6

4. Boiling point (℃ ): 280

5. Refractive index: 1.4294

6. Flash point (℃): >110

7. Solubility: soluble in ethanol and ether ,Insoluble in water.

Toxicological data

1. Irritation: Rabbit transdermal: 150mg/24H Slightly irritating.

Ecological data

No harm to water bodies.

Molecular structure data

1. Molar refractive index: 54.57

2. Molar volume (cm³/mol): 204.7

3. Isotonic specific volume (90.2K ): 491.5

4. Surface tension (dyne/cm): 33.2

5. Polarizability (10^-24cm³): 21.63

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 9

5. Number of tautomers: none

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 121

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

1. Avoid contact with strong oxides.

2. Exist in flue-cured tobacco leaves and oriental tobacco leaves.

Storage method

Stored sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep away from sources of fire. Store away from oxidizing agents.

Synthesis method

1. Tobacco: OR, 26; FC, 9, 15, 18, 40.

Purpose

Plastic conditioner. Organic Synthesis.