Hexyl methacrylate

The Hexyl methacrylate with the CAS number 142-09-6 is also called 2-Propenoic acid,2-methyl-, hexyl ester. Both the systematic name and IUPAC name are hexyl 2-methylprop-2-enoate. Its molecular formula is C₁₀H₁₈O₂. The EINECS registry number is 205-521-9. This chemical belongs to the following product categories: (1)Acrylic Monomers; (2)C10 to C11 Monomers; (3)Carbonyl Compounds; (4)Esters; (5)Methacrylate.

The properties of the Hexyl methacrylate are: (1)ACD/LogP: 4.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 648.28; (6)ACD/BCF (pH 7.4): 648.28; (7)ACD/KOC (pH 5.5): 3583.12; (8)ACD/KOC (pH 7.4): 3583.12; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3Ų; (13)Index of Refraction: 1.431; (14)Molar Refractivity: 49.72 cm³; (15)Molar Volume: 191.9 cm³; (16)Polarizability: 19.71×10^-24cm³; (17)Surface Tension: 27.5 dyne/cm; (18)Enthalpy of Vaporization: 39.86 kJ/mol; (19)Vapour Pressure: 2.21 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of hexan-1-ol and methacrylic acid vinyl ester. This reaction needs solvent 2,2,4-trimethyl-pentane at temperature of 37 °C. The yield is 21%. This reaction is immobilized lipase from Candida cylindracea.

While using this chemical, you should be very cautious. This chemical may cause sensitization by skin contact. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing and gloves. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCC)\C(=C)C
(2)InChI: InChI=1/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h2,4-8H2,1,3H3
(3)InChIKey: LNCPIMCVTKXXOY-UHFFFAOYAK