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(2-Methyl-5-propan-2-yl-cyclohexyl) acetate

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Name

(2-Methyl-5-propan-2-yl-cyclohexyl) acetate

EINECS N/A
CAS No. 7460-78-8 Density 0.92 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C12H22O2 Boiling Point 229.1 °C at 760 mmHg
Molecular Weight 198.3019 Flash Point 94.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 7460-78-8 ((2-Methyl-5-propan-2-yl-cyclohexyl) acetate) Hazard Symbols N/A
Synonyms

2-Methyl-5-(propan-2-yl)cyclohexyl acetate;

Article Data 3

(2-Methyl-5-propan-2-yl-cyclohexyl) acetate Specification

The IUPAC name of this product is (2-Methyl-5-propan-2-yl-cyclohexyl) acetate, and its CAS registry number is 7460-78-8. It is also named as 2-Methyl-5-(propan-2-yl)cyclohexyl acetate. This chemical's molecular formula is C12H22O2 and molecular weight is 198.3019.

Physical properties about (2-Methyl-5-propan-2-yl-cyclohexyl) acetate are: (1)ACD/LogP: 4.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.1; (4)ACD/LogD (pH 7.4): 4.1; (5)ACD/BCF (pH 5.5): 768.43; (6)ACD/BCF (pH 7.4): 768.43; (7)ACD/KOC (pH 5.5): 4046.83; (8)ACD/KOC (pH 7.4): 4046.83; (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: 1.448; (14)Molar Refractivity: 57.32 cm3; (15)Molar Volume: 213.9 cm3; (16)Polarizability: 22.72×10-24 cm3; (17)Surface Tension: 29.4 dyne/cm; (18)Density: 0.92 g/cm3; (19)Flash Point: 94.4 °C; (20)Enthalpy of Vaporization: 46.57 kJ/mol; (21)Boiling Point: 229.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0707 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC1CC(CCC1C)C(C)C)C
(2) InChI: InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3
(3) InChIKey: JAKFDYGDDRCJLY-UHFFFAOYAJ

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