Di-t-butyl Disulfide Di-t-butyl Disulfide

Di-tert-butyl disulfide structural formula

Di-tert-butyl disulfide structural formula

Structural formula

Business number 030J
Molecular formula C8H18S2
Molecular weight 178.36
label

tert-butyl disulfide,

tert-butyl disulfide,

tert-butyl disulfide,

Bis(1,1-dimethylethyl) disulfide,

t-Butyldisulfide,

linear compound

Numbering system

CAS number:110-06-5

MDL number:MFCD00008838

EINECS number:203-734-1

RTECS number:None

BRN number:1698170

PubChem number:24854874

Physical property data

1. Characteristics: Liquid


2. Densityg/mL,20℃):0.923


3. Relative vapor density (g/mL,air =1): 5


4. Melting point (ºC): -5


5. Boiling point (ºC,normal pressure): 200-201


6. Boiling point (ºC, kPa): Not determined


7. Refractive index: 1.490


8. Flashpoint (ºC): Undetermined


9. Specific optical rotation (º): Undetermined


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


11. Vapor pressure (mmHg, 37.7ºC): 51.7


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. Oil and water (octanol/Log value of the partition coefficient for water: undetermined


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


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


19. Solubility: Undetermined

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 55.03


2. Molar volume (m3/mol):188.6


3. isotonic specific volume (90.2K):441.9


4. Surface Tension (dyne/cm):30.1


5. Polarizability10-24cm3):21.81

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.9

2. Number of hydrogen bond donors: 0

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 50.6

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 80.8

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

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5. Polarizability10-24cm3):21.81

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.9

2. Number of hydrogen bond donors: 0

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 50.6

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 80.8

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

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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