10-Undecenal 10-Undecenal

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:112-45-8

MDL number:MFCD00007032

EINECS number:203-973-1

RTECS number:YQ2835000

BRN number:None

PubChem number:24901462

Physical property data

1. Properties: colorless liquid.

2. Relative density (25℃, 4℃): 0.8321^d

3. Relative density (20℃, 4℃): 0.8356^d

4. Melting point (ºC): 43

5. Boiling point (ºC, normal pressure): 337

6. Refraction at room temperature Refractive index (n²⁰): 1.4466^d

7. Normal temperature refractive index (n²⁵): 1.4446 ^d

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Spontaneous combustion Point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, 70ºC): Not determined

12. Saturated vapor pressure (kPa, ºC): Not determined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa) : Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

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18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

1. Irritation: Rabbit percutaneous standard Drez eye dye test: 500mg/24H Mild irritation

2. Acute toxicity: Rat oral LD5O: >5gm/kg

Rabbit transdermal LD50: >5gm/kg

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 52.92

2. Molar volume (cm³/mol): 202.5

3. Isotonic specific volume (90.2K): 467.6

4. Surface tension (dyne/cm): 28.4

5. Polarizability (10^-24cm³): 20.98

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 9

5. Number of tautomers: 2

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 108

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

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet