Structural formula
Business number | 034C |
---|---|
Molecular formula | C12H22O2 |
Molecular weight | 198.3 |
label |
10-Methyl undecenoate, 10-Methyl enoate, ω-Methyl undecenoate, Methyl 10-Undecenoate, Hendecenoic acid methyl ester, 10-Undecenoic acid methyl ester, Undecylenic acid methyl ester, aromatic compounds |
Numbering system
CAS number:111-81-9
MDL number:MFCD00016689
EINECS number:203-910-8
RTECS number:None
BRN number:None
PubChem number:24900668
Physical property data
1. Properties: colorless liquid with ester aroma.
2. Density (g/mL, 35℃): 0.889
3. Relative density (25℃, 4℃): 0.833187.6
4. Melting point (ºC): -27.5
5. Boiling point (ºC, normal pressure): 248
6. Relative density (20℃, 4℃) : 0.8861
7. Refractive index: 1.4393
8. Refractive index at room temperature (n20): 1.4391
9. Room temperature Refractive index (n25): 1.4371
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 20ºC): Undetermined
12. Saturated vapor pressure (kPa,ºC): Undetermined
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
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Soluble in ethanol, ether, acetic acid, insoluble in water.
Toxicological data
Rat oral LD50: 3g/kg, rabbit skin test LD50>: 5g/kg
Ecological data
None
Molecular structure data
1. Molar refractive index: 59.14
2. Molar volume (cm3/mol): 225.1
3. Isotonic specific volume (90.2K ): 523.3
4. Surface tension (dyne/cm): 29.1
5. Polarizability (10-24cm3): 23.44
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Hydrogen bond acceptor�Number: 2
4. Number of rotatable chemical bonds: 10
5. Number of tautomers: None
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 152
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine Number of stereocenters of chemical bonds: 0
14. Number of stereocenters of uncertain chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 30℃. should be kept away from oxidizer, do not store together. It should not be stored for a long time to avoid deterioration. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
It can be prepared from glycerol triricinoleic acid ester, or it can be prepared by esterification of undecylenic acid with methanol under the catalysis of sulfuric acid.
Purpose
Intermediate of undecylenic acid. Intermediates for spices.