1-Decanethiol

Structural formula

• 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:143-10-2

MDL number:MFCD00004884

EINECS number:205-584-2

RTECS number:None

BRN number:1735223

PubChem number:24893492

Physical property data

1. Properties: colorless or light yellow liquid. Has a special odor.

2. Relative density (g/mL, 20/4ºC): 0.847

3. Refractive index (20ºC): 1.4565

4. Flash point ( ºC): 98

5. Melting point (ºC): -26

6. Boiling point (ºC, 1.733kpa): 113~114

7. Dissolution Properties: Miscible with ethanol and ether, slightly soluble in water.

Toxicological data

Irritating to eyes, respiratory system and skin.

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: 56.27

2. Molar volume (cm³/mol): 207.6

3. Isotonic specific volume (90.2K): 481.8

4. Surface tension (dyne/cm): 28.9

5. Polarizability (10^-24cm³): 22.30

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: 1

4. Number of rotatable chemical bonds: 8

5. Number of tautomers: none

6. Topological molecule polar surface area 1

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 61.9

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 under normal temperature and pressure. Protective clothing should be worn when using.

Storage method

Store sealed in a cool, dry place.

Synthesis method

None

Purpose

Used as solvents, organic synthesis intermediates, and synthetic rubber intermediates.