4-Methyl-5-hydroxyethylthiazole

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
• 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: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%.