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| CAS No.: | 14352-61-5 |
|---|---|
| Name: | METHYL CYCLOHEXANEACETATE |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C9H16O2 |
| Molecular Weight: | 156.225 |
| Synonyms: | Cyclohexylaceticacid methyl ester;Methyl cyclohexaneacetate;NSC 68511; |
| Density: | 0.951 g/cm3 |
| Melting Point: | 201 °C(lit.) |
| Boiling Point: | 201 °C at 760 mmHg |
| Flash Point: | 66.8 °C |
| Appearance: | COLORLESS LIQUID |
| Hazard Symbols: | Xi,N |
| Risk Codes: | 38-43-52/53 |
| Safety: | 36/37-61 |
| PSA: | 26.30000 |
| LogP: | 2.12980 |
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Specification
The Methyl cyclohexylacetate, with cas registry number 14352-61-5, has the systematic name of methyl cyclohexylacetate. And its IUPAC name is methyl 2-cyclohexylacetate. And the chemical formula of this chemical is C9H16O2. What's more, its refractive index is 1.446.
Physical properties about this chemical are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.77; (5)ACD/BCF (pH 5.5): 74.75; (6)ACD/BCF (pH 7.4): 74.75; (7)ACD/KOC (pH 5.5): 763.4; (8)ACD/KOC (pH 7.4): 763.4; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 43.4 cm3; (15)Molar Volume: 164 cm3; (16)Polarizability: 17.2×10-24cm3; (17)Surface Tension: 31.6 dyne/cm; (18)Enthalpy of Vaporization: 43.72 kJ/mol; (19)Vapour Pressure: 0.315 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-cyclohexyl-1-trimethylsilanyl-ethanone. This reaction will need reagent Et4NOTs and solvent methanol. The yield is about 96%.
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Uses of Methyl cyclohexylacetate: it can be used to produce cyclohexyl-acetic acid hydrazide. This reaction will need reagent NH2NH2*H2O and solvent methanol. The reaction time is 6 hour(s). The yield is about 45%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CC1CCCCC1
(2)InChI: InChI=1/C9H16O2/c1-11-9(10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3
(3)InChIKey: IMXBRVLCKXGWSS-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H16O2/c1-11-9(10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3
(5)Std. InChIKey: IMXBRVLCKXGWSS-UHFFFAOYSA-N