CAS No.43039-98-1,2-PROPIONYLTHIAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	43039-98-1
Name:	2-PROPIONYLTHIAZOLE
Article Data:	3

Formula:	C₆H₇NOS
Molecular Weight:	141.19
Synonyms:	1-(2-Thiazolyl)-1-propanone;2-Propionylthiazole;ketone, ethyl 2-thiazolyl;
Density:	1.174g/cm³
Boiling Point:	226.1 °C at 760 mmHg
Flash Point:	90.5 °C
Solubility:	Not miscible or difficult to mix with water.
Hazard Symbols:	Xn
Risk Codes:	10-36/37/38
Safety:	26-36/37/39
PSA:	58.20000
LogP:	1.73580

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Specification

The 2-Propionylthiazole with the cas number 43039-98-1 is also called 1-Propanone,1-(2-thiazolyl)-. Both the systematic name and IUPAC name are 1-(1,3-thiazol-2-yl)propan-1-one. Its molecular formula is C₆H₇NOS. The product's category is thiazole Flavor.

The properties of the chemical are: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.85; (6)ACD/BCF (pH 7.4): 2.85; (7)ACD/KOC (pH 5.5): 73.72; (8)ACD/KOC (pH 7.4): 73.72; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.2 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 37.38 cm³; (15)Molar Volume: 120.1 cm³; (16)Polarizability: 14.82×10^-24cm³; (17)Surface Tension: 44 dyne/cm; (18)Enthalpy of Vaporization: 46.26 kJ/mol; (19)Vapour Pressure: 0.0836 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is flammable. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1nccs1)CC
(2)InChI: InChI=1/C6H7NOS/c1-2-5(8)6-7-3-4-9-6/h3-4H,2H2,1H3
(3)InChIKey: TYRAENAWSLPSLW-UHFFFAOYAF

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	2113mg/kg (2113mg/kg)		Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.