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| CAS No.: | 18594-05-3 |
|---|---|
| Name: | 4'-CYCLOHEXYLACETOPHENONE |
| Molecular Structure: | |
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| Formula: | C14H18O |
| Molecular Weight: | 202.296 |
| Synonyms: | Acetophenone,4'-cyclohexyl- (6CI,7CI,8CI);1-(4-Cyclohexylphenyl)ethanone;4-Cyclohexylacetophenone;4'-Cyclohexylacetophenone;p-Cyclohexylacetophenone; |
| EINECS: | 242-432-4 |
| Density: | 1 g/cm3 |
| Melting Point: | 68-70 °C(lit.) |
| Boiling Point: | 316.4 °C at 760 mmHg |
| Flash Point: | 138.2 °C |
| Solubility: | insoluble in water |
| Appearance: | white to yellow crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 17.07000 |
| LogP: | 3.93690 |
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Specification
The Ethanone,1-(4-cyclohexylphenyl)-, with the CAS registry number 18594-05-3, is also known as 4-Cyclohexylacetophenone. It belongs to the product categories of Aromatic Acetophenones & Derivatives (substituted); C13 to C14; Carbonyl Compounds; Ketones. Its EINECS registry number is 242-432-4. This chemical's molecular formula is C14H18O and molecular weight is 202.29212. Its IUPAC name is called 1-(4-cyclohexylphenyl)ethanone. This chemical is white to yellow crystalline powder.
Physical properties of Ethanone,1-(4-cyclohexylphenyl)-: (1)ACD/LogP: 4.19; (2)ACD/LogD (pH 5.5): 4.18; (3)ACD/LogD (pH 7.4): 4.18; (4)ACD/BCF (pH 5.5): 891.86; (5)ACD/BCF (pH 7.4): 891.86; (6)ACD/KOC (pH 5.5): 4502.18; (7)ACD/KOC (pH 7.4): 4502.18; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.526; (11)Molar Refractivity: 62.14 cm3; (12)Molar Volume: 202.1 cm3; (13)Surface Tension: 37 dyne/cm; (14)Density: 1 g/cm3; (15)Flash Point: 138.2 °C; (16)Enthalpy of Vaporization: 55.77 kJ/mol; (17)Boiling Point: 316.4 °C at 760 mmHg; (18)Vapour Pressure: 0.000412 mmHg at 25°C.
Preparation: this chemical can be prepared by acetyl chloride and cyclohexylbenzene. This reaction will need reagent AlCl3 and solvent CS2.
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Uses of Ethanone,1-(4-cyclohexylphenyl)-: it can be used to produce 4-Cyclohexylacetophenone oxime. This reaction will need reagent H2NOH.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1=CC=C(C=C1)C2CCCCC2
(2)InChI: InChI=1S/C14H18O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3
(3)InChIKey: MSDQNIRGPBARGC-UHFFFAOYSA-N