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CAS No.: | 89-74-7 |
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Name: | 2',4'-Dimethylacetophenone |
Article Data: | 74 |
Molecular Structure: | |
Formula: | C10H12O |
Molecular Weight: | 148.205 |
Synonyms: | Acetophenone,2,4-dimethyl- (4CI);Acetophenone, 2',4'-dimethyl- (6CI,7CI,8CI);1-(2,4-Dimethylphenyl)ethanone;2,4-Dimethylacetophenone;2',4'-Dimethylacetophenone;NSC 15333; |
EINECS: | 201-935-9 |
Density: | 0.997g/cm3 |
Melting Point: | 22.95°C |
Boiling Point: | 231.2 °C at 760 mmHg |
Flash Point: | 89.2 °C |
Solubility: | insoluble in water; soluble in organic solvents, oils |
Appearance: | colourless to slightly yellow oily liquid with a sweet, floral, woody, minty odour |
Hazard Symbols: | Xn |
Risk Codes: | 36-20/22 |
Safety: | 39-26 |
PSA: | 17.07000 |
LogP: | 2.50600 |
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The Ethanone,1-(2,4-dimethylphenyl)-, with CAS registry number 89-74-7, belongs to the following product categories: (1)Fine Chemical & Intermediates; (2)Aromatic Acetophenones & Derivatives (substituted); (3)Thiazole Flavor; (4)C10; (5)Carbonyl Compounds; (6)Ketones; (7)Alphabetical Listings; (8)C-D; (9)Flavors and Fragrances. It has the systematic name of 1-(2,4-dimethylphenyl)ethanone. This chemical is a kind of clear colorless to very slightly yellow liquid. What's more, its EINECS is 201-935-9.
Physical properties of Ethanone,1-(2,4-dimethylphenyl)-: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.59; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 17.07 Å2; (9)Index of Refraction: 1.51; (10)Molar Refractivity: 45.93 cm3; (11)Molar Volume: 153.5 cm3; (12)Polarizability: 18.2×10-24cm3; (13)Surface Tension: 32.9 dyne/cm; (14)Enthalpy of Vaporization: 46.79 kJ/mol; (15)Vapour Pressure: 0.0631 mmHg at 25°C.
Preparation: this chemical can be prepared by acetic acid anhydride and 1,3-dimethyl-benzene. This reaction will need reagent LiClO4. The reaction time is 15 hour(s) with reaction temperature of 100 ℃. The yield is about 75%.
Uses of Ethanone,1-(2,4-dimethylphenyl)-: it can be used to produce (2,4-Dimethyl-phenyl)-glyoxal. This reaction will need reagents SeO2, dioxane.
When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)c1ccc(C)cc1C
(2)InChI: InChI=1/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3
(3)InChIKey: HSDSKVWQTONQBJ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3
(5)Std. InChIKey: HSDSKVWQTONQBJ-UHFFFAOYSA-N