Ethanone,1-[1-(acetyloxy)cyclohexyl]- supplier

Name
1-acetylcyclohexyl acetate
EINECS 258-186-6
CAS No. 52789-73-8
Article Data16
CAS DataBase
Density 1.04 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₆O₃
Boiling Point 249.8 °C at 760 mmHg
Molecular Weight 184.235
Flash Point 103.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ketone,1-hydroxycyclohexyl methyl, acetate (6CI);1-Acetoxy-1-acetylcyclohexane;1-Acetoxycyclohexyl methyl ketone;(1-Acetylcyclohexyl) acetate;1-Hydroxycyclohexyl methyl ketone acetate;UNII-987IZ840TA;
PSA 43.37000
LogP 1.84140

Ethanone,1-[1-(acetyloxy)cyclohexyl]- Specification

The Ethanone,1-[1-(acetyloxy)cyclohexyl]-, with the CAS registry number 52789-73-8, is also known as 1-(1-Acetylcyclopropyl)ethanone. Its EINECS number is 258-186-6. This chemical's molecular formula is C₁₀H₁₆O₃ and molecular weight is 184.23. What's more, its systematic name is (1-acetylcyclohexyl) acetate.

Physical properties of Ethanone,1-[1-(acetyloxy)cyclohexyl]- are: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.48; (4)ACD/LogD (pH 7.4): 1.48; (5)ACD/BCF (pH 5.5): 7.84 ; (6)ACD/BCF (pH 7.4): 7.84; (7)ACD/KOC (pH 5.5): 152.01; (8)ACD/KOC (pH 7.4): 152.01; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 48.28 cm³; (15)Molar Volume: 176.1 cm³; (16)Polarizability: 19.14×10^-24cm³; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 1.04 g/cm³; (19)Flash Point: 103.1 °C; (20)Enthalpy of Vaporization: 48.71 kJ/mol; (21)Boiling Point: 249.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0224 mmHg at 25°C.

Preparation of Ethanone,1-[1-(acetyloxy)cyclohexyl]-: this chemical can be prepared by acetic acid-(1-ethynyl-cyclohexyl ester) by heating. This reaction will need reagent water and solvent methanol with the reaction time of 1 hour. This reaction will also need catalyst NaAuCl₄·2H₂O. The yield is about 92%.

Ethanone,1-[1-(acetyloxy)cyclohexyl]- can be prepared by acetic acid-(1-ethynyl-cyclohexyl ester) by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1(CCCCC1)OC(=O)C
(2)InChI: InChI=1S/C10H16O3/c1-8(11)10(13-9(2)12)6-4-3-5-7-10/h3-7H2,1-2H3
(3)InChIKey: GIFAYASOTQVRTG-UHFFFAOYSA-N

Product Name

1-acetylcyclohexyl acetate

Ethanone,1-[1-(acetyloxy)cyclohexyl]- Specification

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