Products Categories
CAS No.: | 16386-93-9 |
---|---|
Name: | 2,2-Dimethyl-4-pentenoic acid |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H12O2 |
Molecular Weight: | 128.171 |
Synonyms: | 2,2-Dimethylpent-4-enoicacid;2,2-dimethyl-pent-4-enoic acid;2,2-dimethylpent-4-enoic acid;4-pentenoic acid, 2,2-dimethyl-;2,2-dimethylpent-4-enoic acid; |
Density: | 0.957 g/cm3 |
Melting Point: | -9.25°C (estimate) |
Boiling Point: | 202.1 °C at 760 mmHg |
Flash Point: | 99.5 °C |
Solubility: | Soluble in water. |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-27-36/37/39-45 |
Transport Information: | UN 3265 |
PSA: | 37.30000 |
LogP: | 1.67330 |
What can I do for you?
Get Best Price
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