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