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| CAS No.: | 1667-01-2 |
|---|---|
| Name: | 2',4',6'-TRIMETHYLACETOPHENONE |
| Molecular Structure: | |
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| Formula: | C11H14O |
| Molecular Weight: | 162.232 |
| Synonyms: | Acetophenone,2,4,6-trimethyl- (3CI);Acetophenone, 2',4',6'-trimethyl- (6CI,7CI,8CI);1-(2,4,6-Trimethylphenyl)-1-ethanone;1-(2,4,6-Trimethylphenyl)ethanone;1-Acetyl-2,4,6-trimethylbenzene;1-Mesitylethanone;Acetomesitylene;Acetylmesitylene;Mesitylmethyl ketone;Methyl 2,4,6-trimethylphenyl ketone;Methyl mesityl ketone;NSC65636; |
| EINECS: | 216-783-9 |
| Density: | 0.955 g/cm3 |
| Boiling Point: | 250.155 °C at 760 mmHg |
| Flash Point: | 98.968 °C |
| Appearance: | clear colourless to light yellow liquid |
| Safety: | 23-24/25 |
| PSA: | 17.07000 |
| LogP: | 2.81440 |
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Specification
This chemical is called Ethanone, 1-(2,4,6-trimethylphenyl)-, and its CAS registry number is 1667-01-2. With the molecular formula of C11H14O, its product categories are Aromatic Acetophenones & Derivatives (substituted). In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the Ethanone, 1-(2,4,6-trimethylphenyl)- can be summarised as followings: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 121.43; (6)ACD/BCF (pH 7.4): 121.43; (7)ACD/KOC (pH 5.5): 1080.37; (8)ACD/KOC (pH 7.4): 1080.37; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 50.75 cm3; (15)Molar Volume: 169.7 cm3; (16)olarizability: 20.12×10-24cm3; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 0.955 g/cm3; (19)Flash Point: 99 °C; (20)Enthalpy of Vaporization: 48.74 kJ/mol; (21)Boiling Point: 250.2 °C at 760 mmHg; (22)Vapour Pressure: 0.022 mmHg at 25°C.
Production method of this chemical: The Ethanone, 1-(2,4,6-trimethylphenyl)- could be obtained by the reactants of acetic acid anhydride and 1,3,5-trimethyl-benzene. This reaction needs the reagent of Hf(OTf)4, LiClO4, and the solvent of nitromethane. The yield is 92 %. In addition, this reaction should be taken for 6 hours at the ambient temperature.
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Uses of this chemical: The Mesityl-glyoxal could be obtained by the Ethanone, 1-(2,4,6-trimethylphenyl)-. This reaction needs the reagent of SeO2, dioxane.
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When you are using this chemical, please be cautious about it as the following: Do not breathe vapour. Avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1c(cc(cc1C)C)C)C
2.InChI: InChI=1/C11H14O/c1-7-5-8(2)11(10(4)12)9(3)6-7/h5-6H,1-4H3
3.InChIKey: XWCIICLTKWRWCI-UHFFFAOYAF