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| CAS No.: | 5459-40-5 |
|---|---|
| Name: | 4-ETHOXYSTYRENE |
| Molecular Structure: | |
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| Formula: | C10H12O |
| Molecular Weight: | 148.205 |
| Synonyms: | Phenetole,p-vinyl- (6CI,7CI,8CI);4-Ethoxystyrene;NSC 24179;p-Ethoxystyrene;p-Vinylphenetol; |
| EINECS: | 226-729-6 |
| Density: | 0.95 g/cm3 |
| Boiling Point: | 227.5 °C at 760 mmHg |
| Flash Point: | 86.2 °C |
| Appearance: | clear colorless liquid |
| Hazard Symbols: | Xn |
| Risk Codes: | 20/21/22-40 |
| Safety: | 24/25 |
| PSA: | 9.23000 |
| LogP: | 2.72830 |
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Specification
The Benzene, 1-ethenyl-4-ethoxy-, with the CAS registry number 5459-40-5, is also known as p-Ethoxystyrene. It belongs to the product categories of Monomer; Monomers; Polymer Science; Styrene and Functionalized Styrene Monomers. And its EINECS registry number is 226-729-6. This chemical's molecular formula is C10H12O and molecular weight is 148.2. What's more, its IUPAC name is 1-Ethenyl-4-ethoxybenzene. In addition, it must be stored in airtight containers and placed in a dry, cool place at 0-6 °C. Meanwhile, it should be kept away from light.
Physical properties about Benzene, 1-ethenyl-4-ethoxy- are: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 152.78; (6)ACD/BCF (pH 7.4): 152.78; (7)ACD/KOC (pH 5.5): 1273.42; (8)ACD/KOC (pH 7.4): 1273.42; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 48.48 cm3; (15)Molar Volume: 155.8 cm3; (16)Polarizability: 19.22×10-24 cm3; (17)Surface Tension: 31.2 dyne/cm; (18)Density: 0.95 g/cm3; (19)Flash Point: 86.2 °C; (20)Enthalpy of Vaporization: 44.52 kJ/mol; (21)Boiling Point: 227.5 °C at 760 mmHg; (22)Vapour Pressure: 0.116 mmHg at 25 °C.
Uses of Benzene, 1-ethenyl-4-ethoxy-: it is used to produce other chemicals. For example, it is used to produce 3-Benzyl-6-(4-ethoxy-phenyl)-1-methyl-1H-pyrido[2, 3-d]pyrimidine-2, 4-dione. This reaction needs reagents Pd(OAc)2; K2CO3; PPh3. Meanwhile, it needs solvent Dimethylformamide. The reaction time is 5 hours with reaction temperature of 120 °C. The yield is about 45 %.
![Benzene, 1-ethenyl-4-ethoxy- can react with N'-(1-Benzyl-5-iodo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-N,N-dimethyl-formamidine to get 3-Benzyl-6-(4-ethoxy-phenyl)-1-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione.](/UserFilesUpload/Uses of Benzene, 1-ethenyl-4-ethoxy-.png)
When you are using this chemical, please be cautious about it as the following:
As a chemical, it has limited evidence of a carcinogenic effect. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1)\C=C)CC
(2) InChI: InChI=1/C10H12O/c1-3-9-5-7-10(8-6-9)11-4-2/h3,5-8H,1,4H2,2H3
(3) InChIKey: OBRYRJYZWVLVLF-UHFFFAOYAV