2-Ethylmercaptoethanol 2-(Ethylmercapto)ethanol
Structural formula
| Business number | 0322 |
|---|---|
| Molecular formula | C4H10OS |
| Molecular weight | 106.55 |
| label |
Ethylthioethanol, Hydroxyethyl sulfide, α-ethylthioethanol, Ethyl 2-hydroxyethyl sulfide, 2-Hydroxyethylthioethyl ether, Ethyl 2-hydroxyethyl sulfide, linear compound |
Numbering system
CAS number:110-77-0
MDL number:MFCD00002909
EINECS number:203-802-0
RTECS number:KL1225000
BRN number:1731373
PubChem ID:None
Physical property data
1. Properties: colorless liquid with slight odor.
2. Density (g/mL, 20℃): 1.018
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): -100
5. Boiling point (ºC, normal pressure): 184
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: 1.4859-1.4879
8. Flash point (ºC): 93
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 25ºC): 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) distribution coefficient: Undetermined
17. Explosion upper limit (%, V/V ): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Easily soluble in water and organic solvents.
Toxicological data
1. Irritation: Rabbit transdermal: 2mg/24 hours, severe irritation. Rabbit eye: 750μg/24 hours, severe irritation.
2. Acute toxicity: Rat oral LD50: 2320 mg/kg
Ecological data
This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 30.11
2. Molar volume (cm3/mol): 106.0
3. Isotonic specific volume (90.2K): 258.6
4. Surface tension (dyne/cm): 35.4
5. Polarizability (10-24cm3): 11.93
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.6
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 45.5
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 23.5
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
1. It is gradually oxidized into sulfone in the air and can be polymerized at high temperature. Easily hydrolyzed in alkaline solution. Avoid contact with oxides.
2.This product is irritating, see 2-mercaptoethanol. The workshop should have good ventilation and the production equipment should be airtight. Operators should wear protective equipment.
Storage method
1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.
2. Put this product into glass bottles, plastic buckets, ceramic jars, acid-resistant jars, seal tightly, and use wooden boxes for external protection. The outside of the box is tied tightly with iron sheets. Load and unload gently to prevent damage.
Synthesis method
1. The ethylene oxide method uses ethylene oxide as raw material and reacts with ethyl mercaptan.
2. Using chlorohydrin as raw material , prepared by reacting with ethyl mercaptan.
Purpose
Used as an intermediate for pesticides, lubricants, etc.
