2,2-Dimethyl-4-pentenoic acid

The 4-Pentenoic acid,2,2-dimethyl-, with the CAS registry number 16386-93-9, has the systematic name of 2,2-dimethylpent-4-enoic acid. It belongs to the following product categories: C7; Carbonyl Compounds; Carboxylic Acids. And the molecular formula of this chemical is C₇H₁₂O₂.

The physical properties of 4-Pentenoic acid,2,2-dimethyl- are as following: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): -0.93; (5)ACD/BCF (pH 5.5): 1.72; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.07; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 35.73 cm³; (15)Molar Volume: 133.8 cm³; (16)Polarizability: 14.16×10^-24cm³; (17)Surface Tension: 31.2 dyne/cm; (18)Density: 0.957 g/cm³; (19)Flash Point: 99.5 °C; (20)Enthalpy of Vaporization: 48.31 kJ/mol; (21)Boiling Point: 202.1 °C at 760 mmHg; (22)Vapour Pressure: 0.123 mmHg at 25°C.

Preparation of 4-Pentenoic acid,2,2-dimethyl-: This chemical can be prepared by 3-bromo-propene and isobutyric acid. And the yield is about 63.3%. 

Uses of 4-Pentenoic acid,2,2-dimethyl-: It can react with phenolto produce phenyl allyldimethylacetate. This reaction will need reagent P₂O₅, and the solvents diethyl ether and CHCl₃. The reaction time is 24 hours with ambient temperature, and the yield is about 93%.  

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Take off immediately all contaminated clothing; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(C)(C)C\C=C
(2)InChI: InChI=1/C7H12O2/c1-4-5-7(2,3)6(8)9/h4H,1,5H2,2-3H3,(H,8,9)
(3)InChIKey: BGUAPYRHJPWVEM-UHFFFAOYAU