Ethyl salicylate
Structural formula
| Business number | 039Z |
|---|---|
| Molecular formula | C9H10O3 |
| Molecular weight | 166.17 |
| label |
Ethyl 2-Hydroxybenzoate, Ethyl salicylate, Ethyl ortho-hydroxybenzoate, Ethyl 2-hydroxybenzoate, Salicylic acid ethyl ester, HOC6H4COOC2H5, Nitrocellulose solvent, spices |
Numbering system
CAS number:118-61-6
MDL number:MFCD00002215
EINECS number:204-265-5
RTECS number:VO3000000
BRN number:907659
PubChem number:24888187
Physical property data
1. Properties: colorless liquid
2. Relative density: 1.131 (20ºC)
3. Melting point (ºC): 2
4. Boiling point (ºC, normal pressure): 231~240
5. Boiling point (ºC, 4.93KPa): 132.8
6. Refractive index (20ºC): 1.5226
7. Flash point (ºC): 107
8. Solubility: Insoluble in water, soluble in alcohol and ether.
9. Relative density (25℃, 4℃): 1.119030
10. Refractive index at room temperature (n25 ): 1.5216
Toxicological data
1. Irritation: Rabbit transdermal: 500mg/24H Moderately irritating.
2. Acute toxicity: Rat oral LD50: 1320mg/kg
3. There is no serious harm when used under normal conditions.
Ecological data
Slightly harmful to water.
Molecular structure data
1. Molar refractive index: 44.54
2. Molar volume (cm3/mol): 142.2
3. Isotonic specific volume (90.2K ): 366.9
4. Surface tension (dyne/cm): 44.2
5. Polarizability (10-24cm3): 17.65
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 4
6. Topological molecule polar surface area 46.5
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 156
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
Stable at room temperature and pressure, avoid contact with oxides. Combustible, pay attention to fire prevention and store away from light.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. The packaging is sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
It is derived from the esterification of o-hydroxybenzoic acid (i.e. salicylic acid) and ethanol.
Purpose
Used as solvent, nitrocellulose solvent.
It is used as a floral blending spice for blackcurrant wine, ylang-ylang, lily, etc., and is also used as a fruity flavor such as strawberry. It can also be used in organic synthesis.