10-undecenal 10-undecenal
structural formula
| business number | 035t |
|---|---|
| molecular formula | c11h20o |
| molecular weight | 168.28 |
| label |
octadecyaldehyde, undecenal, undecenal, 10-undecene-1-aldehyde, 10-undecenal, undecylenic aldehyde, food additives, flavor enhancer |
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℃): 0.8321d
3. relative density (20℃, 4℃): 0.8356d
4. melting point (ºc): 43
5. boiling point (ºc, normal pressure): 337
6. refraction at room temperature refractive index (n20): 1.4466d
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
