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| CAS No.: | 625-38-7 |
|---|---|
| Name: | VINYLACETIC ACID |
| Article Data: | 96 |
| Molecular Structure: | |
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| Formula: | C4H6O2 |
| Molecular Weight: | 86.0904 |
| Synonyms: | Vinylacetic acid;NSC 44546;b-Butenoic acid;Aceticacid, ethenyl-;But-3-enoic acid; |
| EINECS: | 210-892-5 |
| Density: | 1.021 g/cm3 |
| Melting Point: | -39 °C(lit.) |
| Boiling Point: | 170.6 °C at 760 mmHg |
| Flash Point: | 68.2 °C |
| Appearance: | clear colourless to yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 22-34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2922 8/PG 2 |
| PSA: | 37.30000 |
| LogP: | 0.64710 |
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Specification
This chemical is called 3-Butenoic acid, and it can also be named as Vinylacetic acid. With the molecular formula of C4H6O2, its molecular weight is 86.09. The CAS registry number of this chemical is 625-38-7, and its product categories are omega-Functional Alkanols, Carboxylic Acids, Amines & Halides, omega-Unsaturated Carboxylic Acids. Additionally, this chemical should be sealed in the closed container and stored in the cool and dry place at the temperature of 2-8°C.
Other characteristics of the 3-Butenoic acid can be summarised as follows: (1)ACD/LogP: 0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.63; (4)ACD/LogD (pH 7.4): -2.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.13; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 21.87 cm3; (15)Molar Volume: 84.2 cm3; (16)Polarizability: 8.67×10-24 cm3; (17)Surface Tension: 33 dyne/cm; (18)Density: 1.021 g/cm3; (19)Flash Point: 68.2 °C; (20)Enthalpy of Vaporization: 44.88 kJ/mol; (21)Boiling Point: 170.6 °C at 760 mmHg; (22)Vapour Pressure: 0.714 mmHg at 25°C.
Production method of this chemical: The 3-Butenoic acid could be obtained by the reactants of 3-Bromo-propene and carbon monoxide. This reaction needs the reagents of dichlorobispalladium(II) and NaOH, and the solvents of H2O and heptane. The yield is 63 %. In addition, this reaction should be taken for 1.2 hours at the temperature of 50 °C.
Uses of this chemical: The 3,4-Dibromo-butyric acid could be obtained by the reactant of 3-Butenoic acid. This reaction needs the reagent of Br2, and the solvent of CCl4. The yield is 90 %. This reaction should be taken for 15 hours at the temperature of 0 °C.
When you are using this chemical, please be cautious about it as follows: It is harmful if swallowed and it causes burns. When you use it, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, 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
2.InChI: InChI=1/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)
3.InChIKey: PVEOYINWKBTPIZ-UHFFFAOYAG