Ethanone,1-(2,5-dimethyl-4-oxazolyl)- supplier

Name
Ethanone, 1-(2,5-dimethyl-4-oxazolyl)- (9CI)
EINECS
CAS No. 23000-12-6
Article Data6
CAS DataBase
Density 1.074 g/cm³
Solubility
Melting Point 49 °C
Formula C₇H₉NO₂
Boiling Point 203.678 °C at 760 mmHg
Molecular Weight 139.154
Flash Point 76.982 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ketone,2,5-dimethyl-4-oxazolyl methyl (8CI);4-Acetyl-2,5-dimethyloxazole;
PSA 43.10000
LogP 1.49400

Ethanone,1-(2,5-dimethyl-4-oxazolyl)- Specification

The Ethanone,1-(2,5-dimethyl-4-oxazolyl)-, with the CAS registry number 23000-12-6, is also known as 1-(2,5-Dimethyl-4-Oxazolyl) Ethanone. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C₇H₉NO₂ and molecular weight is 139.1519. Its systematic name is called 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone.

Physical properties of Ethanone,1-(2,5-dimethyl-4-oxazolyl)-: (1)ACD/LogP: 0.21; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 31; (5)ACD/KOC (pH 7.4): 31; (6)#H bond acceptors: 3; (7)#Freely Rotating Bonds: 1; (8)Index of Refraction: 1.473; (9)Molar Refractivity: 36.322 cm³; (10)Molar Volume: 129.532 cm³; (11)Surface Tension: 35.361 dyne/cm; (12)Density: 1.074 g/cm³; (13)Flash Point: 76.982 °C; (14)Enthalpy of Vaporization: 43.99 kJ/mol; (15)Boiling Point: 203.678 °C at 760 mmHg; (16)Vapour Pressure: 0.274 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-acetyl-1-amino-pentane-2,4-dione. This reaction will need reagent conc. H₂SO₄ and solvent acetic anhydride. The reaction time is 2 hours with reaction temperature of 20 - 60 °C. The yield is about 65%.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(nc(o1)C)C(=O)C
(2)InChI: InChI=1/C7H9NO2/c1-4(9)7-5(2)10-6(3)8-7/h1-3H3
(3)InChIKey: XWLBBTGITHATTI-UHFFFAOYAY

Product Name

Ethanone, 1-(2,5-dimethyl-4-oxazolyl)- (9CI)

Ethanone,1-(2,5-dimethyl-4-oxazolyl)- Specification

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