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CAS No.: | 937-30-4 |
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Name: | 4-Ethylacetophenone |
Article Data: | 121 |
Molecular Structure: | |
Formula: | C10H12O |
Molecular Weight: | 148.205 |
Synonyms: | Acetophenone,4'-ethyl- (6CI,7CI,8CI);Acetophenone, p-ethyl- (4CI);1-(4-Ethylphenyl)ethanone;1-Acetyl-4-ethylbenzene;NSC6768;p-Acetylethylbenzene;p-Ethyl-hypnone;p-Ethylacetophenone;p-Ethylphenylmethyl ketone; |
EINECS: | 213-326-5 |
Density: | 0.993 g/cm3 |
Melting Point: | -20.6 °C(lit.) |
Boiling Point: | 239.6 °C at 760 mmHg |
Flash Point: | 94.1 °C |
Solubility: | Not miscible or difficult to mix in water. Soluble in alcohol. |
Appearance: | Colorless or pale yellow liquid |
Safety: | 24/25 |
PSA: | 17.07000 |
LogP: | 2.45160 |
The Ethanone,1-(4-ethylphenyl)-, with CAS registry number 937-30-4, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)Adehydes, Acetals & Ketones; (3)Acetophenones (Building Blocks for Liquid Crystals); (4)Building Blocks for Liquid Crystals; (5)Functional Materials; (6)C10; (7)Carbonyl Compounds; (8)Ketones. It has the systematic name of 1-(4-ethylphenyl)ethanone. This chemical is a kind of clear colorless to yellow liquid. When use this chemical, please avoid contact with skin and eyes.
Physical properties of Ethanone,1-(4-ethylphenyl)-: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 61.49; (6)ACD/BCF (pH 7.4): 61.49; (7)ACD/KOC (pH 5.5): 663.84; (8)ACD/KOC (pH 7.4): 663.84; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 45.83 cm3; (15)Molar Volume: 153.7 cm3; (16)Polarizability: 18.16×10-24cm3; (17)Surface Tension: 33.1 dyne/cm; (18)Enthalpy of Vaporization: 47.65 kJ/mol; (19)Vapour Pressure: 0.0397 mmHg at 25°C.
Preparation: this chemical can be prepared by ethylbenzene and acetyl chloride. This reaction will need reagent AlCl3, carbon disulfide.
Uses of Ethanone,1-(4-ethylphenyl)-: it can be used to produce 1,1'-p-phenylene-bis-ethanone. This reaction will need reagent air, cobalt naphthenate. The reaction temperature is 125 ℃.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)CC)C
(2)InChI: InChI=1/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3
(3)InChIKey: NODGRWCMFMEGJH-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3
(5)Std. InChIKey: NODGRWCMFMEGJH-UHFFFAOYSA-N