4,5-Dimethyl-2-ethyl-3-thiazoline supplier

Name
4,5-DIMETHYL-2-ETHYL-3-THIAZOLINE
EINECS 278-551-3
CAS No. 76788-46-0
Density 0.971
Solubility
Melting Point
Formula C₇H₁₃NS
Boiling Point 200.1 °C at 760 mmHg
Molecular Weight 143.253
Flash Point 66 ºC
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 3-Thiazoline,2-ethyl-4,5-dimethyl- (6CI);
PSA 37.66000
LogP 1.75430

4,5-Dimethyl-2-ethyl-3-thiazoline Specification

The 4,5-Dimethyl-2-ethyl-3-thiazoline, with the cas registry number of 76788-46-0, is also known as 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole and Thiazole, 2,5-dihydro-4,5-dimethyl-2-ethyl-. It belongs to the product categories of thiazole flavor. Its EINECS number is 278-551-3. This chemical's molecular formula is C₇H₁₃NS and formula weight is 143.25. What's more, both its IUPAC name and systematic name are the same which is called 2-Ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole.

Physical properties about this chemical are: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 37.66 Å²; (7)Index of Refraction: 1.552; (8)Molar Refractivity: 42.56 cm³; (9)Molar Volume: 133 cm³; (10)Surface Tension: 32 dyne/cm; (11)Enthalpy of Vaporization: 41.85 kJ/mol; (12)Vapour Pressure: 0.468 mmHg at 25°C; (13)FEMA 3620; (14)refractive index 1.496.

When you are using this chemical, please be cautious about it as the following: this chemical may cause damage to health and it is harmful if swallowed.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1N=C(C(S1)C)C;
(2)InChI: InChI=1S/C7H13NS/c1-4-7-8-5(2)6(3)9-7/h6-7H,4H2,1-3H3;
(3)InChIKey: CSACPVARWHDAET-UHFFFAOYSA-N.

The toxicity data of 4,5-Dimethyl-2-ethyl-3-thiazoline is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1265mg/kg (1265mg/kg)		Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Product Name

4,5-DIMETHYL-2-ETHYL-3-THIAZOLINE

4,5-Dimethyl-2-ethyl-3-thiazoline Specification

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