2-(ethanesulfonyl)ethanol

Structural formula

Business number	05AK
Molecular formula	C4H10O3S
Molecular weight	138.19
label	None yet

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:513-12-2

MDL number:MFCD00041259

EINECS number:000-000-0

RTECS number:KL1100000

BRN number:1748754

PubChem ID:None

Physical property data

1. Character: Undetermined

2. Density (g/ cm³,25/4℃): 1.25

3. Relative vapor density (g/cm³,Air=1): Undetermined

4. Melting point (ºC):37

5. Boiling point (ºC,Normal pressure):153

6. Boiling point (ºC,8kPa): Undetermined

7. Refractive Index: Undetermined

8. Flash Point (ºC):188

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure ( kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Logarial value of partition coefficient for water: undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility:Undetermined

Toxicological data

1. Acute toxicity: Rat oral LD50: 18gm/kg, no detailed description except the lethal dose;

Orally administered to miceLDLo:14gm/kg, no detailed description except lethal dose;

Mouse transabdominal LDLo: 10gm/kg, change body activity;

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1、 Molar refractive index:30.91

2、 Molar volume（m³/mol)：113.1

3, Isotonic specific volume (90.2K) ：291.2

4、 Surface tension（dyne/cm)：43.9

5、 Polarizability(10^-24cm³）：12.25

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.7

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

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4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecular polesSexual surface area 62.8

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 130

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13 .Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Stored in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None

Purpose

None