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| CAS No.: | 13623-11-5 |
|---|---|
| Name: | Trimethyl thiazole |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C6H9NS |
| Molecular Weight: | 127.21 |
| Synonyms: | Trimethyl thiazole;FEMA No. 3325;NSC 170614;Thiazole, 2,4,5-trimethyl-;Trimethylthiazole; |
| EINECS: | 237-107-9 |
| Density: | 1.051 g/cm3 |
| Melting Point: | -32.4°C |
| Boiling Point: | 168.7 °C at 760 mmHg |
| Flash Point: | 56.1 °C |
| Appearance: | clear colourless to yellow liquid |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 22-37/38-41-36/37/38 |
| Safety: | 26-39-37/39-36-7/9 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 41.13000 |
| LogP: | 2.06830 |
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Specification
The Trimethylthiazole is an organic compound with the formula C6H9NS. The IUPAC name of this chemical is 2,4,5-trimethyl-1,3-thiazole. With the CAS registry number 13623-11-5, it is also named as 2,4,5-Trimethylthiazole. The product's categories are Thiazole Flavor; Building Blocks; Heterocyclic Building Blocks; Thiazoles; Alphabetical Listings; Flavors and Fragrances; Q-Z. Besides, it is clear colourless to yellow liquid, which should be stored in a closed cool and dry place.
Physical properties about Trimethylthiazole are: (1)ACD/LogP: 2.02; (2)ACD/LogD (pH 5.5): 1.98; (3)ACD/LogD (pH 7.4): 2.02; (4)ACD/BCF (pH 5.5): 18.3; (5)ACD/BCF (pH 7.4): 20.23; (6)ACD/KOC (pH 5.5): 270.85; (7)ACD/KOC (pH 7.4): 299.43; (8)#H bond acceptors: 1; (9)Polar Surface Area: 41.13 Å2; (10)Index of Refraction: 1.527; (11)Molar Refractivity: 37.2 cm3; (12)Molar Volume: 120.9 cm3; (13)Polarizability: 14.74×10-24cm3; (14)Surface Tension: 36.5 dyne/cm; (15)Density: 1.051 g/cm3; (16)Flash Point: 56.1 °C; (17)Enthalpy of Vaporization: 38.85 kJ/mol; (18)Boiling Point: 168.7 °C at 760 mmHg; (19)Vapour Pressure: 2.11 mmHg at 25°C.
Uses of Trimethylthiazole: it can be used to produce 2,3,4,5-tetramethylthiazolium methosulfate at temperature of 90 °C. It will need solvent xylene with reaction time of 30 min. The yield is about 92%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and risk of serious damage to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c(sc1C)C)C
(2)InChI: InChI=1/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3
(3)InChIKey: BAMPVSWRQZNDQC-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3
(5)Std. InChIKey: BAMPVSWRQZNDQC-UHFFFAOYSA-N