Morpholine Knowledge 1-Hexanethiol 1-Hexanethiol

1-Hexanethiol 1-Hexanethiol

1-hexanethiol structural formula

Structural formula

Business number 0338
Molecular formula C6H14S
Molecular weight 118.24





n-Hexyl mercaptan,

food additives,

flavor enhancer,

alcohol solvent

Numbering system

CAS number:111-31-9

MDL number:MFCD00004909

EINECS number:203-857-0

RTECS number:MO4550000

BRN number:1731295

PubChem number:24854028

Physical property data

1. Properties: colorless liquid with foul odor.

2. Density (g/mL, 20℃): 0.8424

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

4. Melting point (ºC): -81

5. Boiling point (ºC, normal pressure): 152.7

6. Boiling point (ºC, kPa): Undetermined

7. Refractive index (n20D): 1.4496

8. Flash point (ºC): 30

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. Oil-water (octanol/water) partition coefficient Logarithmic value of p>

19. Solubility: miscible with ethanol and ether, but insoluble in water.

Toxicological data

1. Acute toxicity: Rat oral LD5O: 1254mg/kg

Rat inhalation LC5O: 1080ppm/4H

Rat abdominal LD5O: 396mg/kg

Mouse inhalation LC5O: 528ppm/4H

Mouse intraperitoneal LD5O: 200mg/kg

Ecological data

Slightly harmful to water bodies.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 37.74

2. Molar volume (cm3/mol): 141.6

3. Isotonic specific volume (90.2K): 322.7

4. Surface tension (dyne/cm): 26.9

5. Polarizability (10-24cm3): 14.96

CalculateAcademic 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: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 1

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 27.4

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. Avoid contact with oxides and air.

2. Exist in mainstream smoke.

Storage method

Store sealed in a cool, dry place. Ensure that the workspace has good ventilation facilities and explosion-proof facilities. Keep away from fire sources and prevent static electricity. Store away from oxidants and air.

Synthesis method



Chromatographic analysis standards. Organic synthesis intermediates.

This article is from the internet and does not represent Morpholine position. Please indicate the source when reprinting.


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