-
Name
METHYL CYCLOHEXANEACETATE
- EINECS
- CAS No. 14352-61-5
- Article Data23
- CAS DataBase
- Density 0.951 g/cm3
- Solubility
- Melting Point 201 °C(lit.)
- Formula C9H16O2
- Boiling Point 201 °C at 760 mmHg
- Molecular Weight 156.225
- Flash Point 66.8 °C
- Transport Information
- Appearance COLORLESS LIQUID
- Safety 36/37-61
- Risk Codes 38-43-52/53
-
Molecular Structure
- Hazard Symbols Xi,N
- Synonyms Cyclohexylaceticacid methyl ester;Methyl cyclohexaneacetate;NSC 68511;
- PSA 26.30000
- LogP 2.12980
Methyl cyclohexylacetate 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
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