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

Name
(2-Methyl-5-propan-2-yl-cyclohexyl) acetate
EINECS
CAS No. 7460-78-8
Article Data3
CAS DataBase
Density 0.92 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₂O₂
Boiling Point 229.1 °C at 760 mmHg
Molecular Weight 198.3019
Flash Point 94.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methyl-5-(propan-2-yl)cyclohexyl acetate;
PSA
LogP

(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

Product Name

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

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

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