Isoamylthiol
Structural formula
| Business number | 05KR |
|---|---|
| Molecular formula | C5H12S |
| Molecular weight | 104.21 |
| label |
3-Methyl-1-butanethiol, Isoamyl mercaptan, Isoamyl mercaptan, 2-Methyl-4-butanethiol, 3-Methylbutanethiol, 3-Methyl-1-butanethiol, 2-Methyl-4-butanethiol, 3-Methylbutanethiol, alcohol solvent |
Numbering system
CAS number:541-31-1
MDL number:MFCD00004899
EINECS number:208-774-3
RTECS number:None
BRN number:635659
PubChem ID:None
Physical property data
1. Properties: water white to light yellow liquid with unpleasant odor. [1]
2. Melting point (℃): -169[2]
3. Boiling point (℃): 117~120[3]
4. Relative density (water=1): 0.84[4]
5. Relative vapor density (air = 1): 1.1[5]
6. Octanol/water partition coefficient: 2.67[6]
7. Flash point (℃): 18 (OC) [7]
8. Solubility: Insoluble in water, soluble in ethanol. [8]
Toxicological data
1. Acute toxicity No data available
2. Irritation No data available
Ecological data
1. Ecotoxicity No data available
2. Biodegradability No data available
3 .Non-biodegradability No information available
Molecular structure data
1. Molar refractive index: 33.06
2. Molar volume (cm3/mol): 125.4
3. Isotonic specific volume (90.2K ): 280.3
4. Surface tension (dyne/cm): 24.8
5. Polarizability (10-24cm3): 13.10
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.2
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 1
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 25.1
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. Stability[9] Stable
2. Incompatible substances[10] Alkalis, strong oxidants, alkali metals
3. AvoidContact conditions[11] Heating
4. Polymerization hazard[12] No polymerization p>
5. Decomposition products[13] Hydrogen sulfide
Storage method
Storage Precautions[14] Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 37°C. Keep container tightly sealed. They should be stored separately from oxidants, alkalis, and alkali metals, and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
Purpose
Organic compounds used in the synthesis of sulfur. [15]