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