Acetic acid 2-methylcyclohexyl ester supplier

Name
Acetic acid 2-methylcyclohexyl ester
EINECS 227-231-1
CAS No. 50539-19-0
Article Data4
CAS DataBase
Density 0.95 g/cm³
Solubility
Melting Point
Formula C₉H₁₆O₂
Boiling Point 191.7 °C at 760 mmHg
Molecular Weight 156.225
Flash Point 66.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methylcyclohexyl acetate;Cyclohexanol,2-methyl-,acetate;
PSA 26.30000
LogP 2.12820

Acetic acid 2-methylcyclohexyl ester Specification

The Acetic acid 2-methylcyclohexyl ester with CAS registry number of 50539-19-0 is also known as Cyclohexanol,2-methyl-,acetate. The systematic name is 2-Methylcyclohexyl acetate. In addition, the formula is C₉H₁₆O₂ and the molecular weight is 156.22. This chemical should be sealed in a ventilated and dry place.

Physical properties about Acetic acid 2-methylcyclohexyl ester are: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 69.79; (6)ACD/BCF (pH 7.4): 69.79; (7)ACD/KOC (pH 5.5): 726.76; (8)ACD/KOC (pH 7.4): 726.76; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3Å²; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 43.48 cm³; (15)Molar Volume: 163.4 cm³; (16)Polarizability: 17.23×10^-24cm³; (17)Surface Tension: 29.9 dyne/cm; (18)Density: 0.95 g/cm³; (19)Flash Point: 66.3 °C; (20)Enthalpy of Vaporization: 42.79 kJ/mol; (21)Boiling Point: 191.7 °C at 760 mmHg; (22)Vapour Pressure: 0.508 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(OC1CCCCC1C)C
2. InChI: InChI=1/C9H16O2/c1-7-5-3-4-6-9(7)11-8(2)10/h7,9H,3-6H2,1-2H3
3. InChIKey: AKIIJALHGMKJEJ-UHFFFAOYAG
4. Std. InChI: InChI=1S/C9H16O2/c1-7-5-3-4-6-9(7)11-8(2)10/h7,9H,3-6H2,1-2H3
5. Std. InChIKey: AKIIJALHGMKJEJ-UHFFFAOYSA-N

Product Name

Acetic acid 2-methylcyclohexyl ester

Acetic acid 2-methylcyclohexyl ester Specification

Related Products

Hot Products