Structural formula
Business number | 03R5 |
---|---|
Molecular formula | C6H9NOS |
Molecular weight | 143.21 |
label | 4-Methyl-5-thiazoleethanol, sulfonyl alcohol, 4-methyl-5-thiazole ethanol, Sulfonyl alcohol, artificial flavors |
Numbering system
CAS number:137-00-8
MDL number:MFCD00005339
EINECS number:205-272-6
RTECS number:None
BRN number:114249
PubChem number:24901552
Physical property data
1. Properties: Colorless to light yellow viscous oily liquid
2. Relative density (g/mL, 24/4℃): 1.196
3. Boiling point (0.93 KPa, ℃): 135
(133.3Pa, ℃): 103
4. Refractive index (n20/D): 1.550
5. Flash point (℃): >110
6. Solubility: soluble in water and organic solvents.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 38.63
2. Molar volume (cm3/mol): 118.7
3. Isotonic specific volume (90.2K): 315.5
4. Surface tension (3.0 dyne/cm): 49.8
5. Polarizability (0.5 10-24cm3): 15.31
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: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 61.4
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 89.1
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
When diluted it has a nutty, woody, sweet fruity, toasty and beefy aroma. Heavy metal content (calculated as Pb) ≤10×10-6. Arsenic content ≤3×10-6.
Storage method
None
Synthesis method
It can be obtained by reducing 4-methyl-5-ethyl acetate with lithium aluminum tetrahydrogen. Or the desired product can be obtained by condensation cyclization of α-chloroacetyl propyl alcohol and thioformamide, and then the action of hydrogen peroxide.
Purpose
It can be used to prepare flavors for beverages, candies, baked goods, ice cream, dairy products, seafood flavor, chicken flavor, gravy, soup, beef dairy products, cereal products and other foods. Product quality: content ≥98%.