ACRYLIC ACID ISOAMYL ESTER

The 2-Propenoic acid,3-methylbutyl ester, with the CAS registry number 4245-35-6, is also known as Acrylic acid isoamyl ester. Its EINECS number is 224-204-6. It belongs to the product category of Monomer. This chemical's molecular formula is C₈H₁₄O₂ and molecular weight is 142.2. What's more, its systematic name is 3-Methylbutyl prop-2-enoate. It is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. What's more, it should be protected from light.

Physical properties of 2-Propenoic acid,3-methylbutyl ester are: (1)ACD/LogP: 2.74; (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): 70.54; (6)ACD/BCF (pH 7.4): 70.54; (7)ACD/KOC (pH 5.5): 732.35; (8)ACD/KOC (pH 7.4): 732.35; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 40.57 cm³; (15)Molar Volume: 159.5 cm³; (16)Polarizability: 16.08×10^-24 cm³; (17)Surface Tension: 26.3 dyne/cm; (18)Density: 0.891 g/cm³; (19)Flash Point: 45.4 °C; (20)Enthalpy of Vaporization: 39.98 kJ/mol; (21)Boiling Point: 163.3 °C at 760 mmHg; (22)Vapour Pressure: 2.08 mmHg at 25°C.

Uses of 2-Propenoic acid,3-methylbutyl ester: it can be used to produce bicyclo[2.2.1]hept-5-en-2-carbonsaeure-3-methylbutylester. The yield is about 94%.

When you are using this chemical, please be cautious about it as the following:
It is flammable and irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CCOC(=O)C=C
(2)InChI: InChI=1S/C8H14O2/c1-4-8(9)10-6-5-7(2)3/h4,7H,1,5-6H2,2-3H3
(3)InChIKey: ZVYGIPWYVVJFRW-UHFFFAOYSA-N