sorbitaldehyde

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:142-83-6

mdl number:mfcd00007004

einecs number:205-564-3

rtecs number:wg1925000

brn number:1698401

pubchem number:24901700

physical property data

1. properties: yellow liquid

2. density (g/ml, 20/4℃): 0.895

3. boiling point (ºc, normal pressure): 171- 173

4. boiling point (2666pa, ºc): 69

5. refractive index _(n²⁰_{d )}: 1.541

6. flash point (ºc): 67

toxicological data

1. acute toxicity: rat oral ld50: 300 mg/kg;

rabbit transdermal ld50: 270 ul/kg.

2. inhalation toxicity: rat lclo: 2000 ppm/4h;

ecological data

other harmful effects: this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

1. molar refractive index: 30.14

2. molar volume (cm³/mol): 112.1

3. isotonic specific volume (90.2k ): 254.1

4. surface tension (dyne/cm): 26.4

5. polarizability (10^-24cm³): 11.95

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.2

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 2

5. number of tautomers: 4

6. topological molecule polar surface area 17.1

7. number of heavy atoms: 7

8. surface charge: 0

9. complexity: 90.4

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: 2

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 flue-cured tobacco leaves.

storage method

storage temperature 4ºc

synthesis method

1. tobacco: fc, 40.

purpose

none