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
