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| CAS No.: | 4813-57-4 |
|---|---|
| Name: | Octadecyl acrylate |
| Article Data: | 10 |
| Molecular Structure: | |
|
|
|
| Formula: | C21H40O2 |
| Molecular Weight: | 324.547 |
| Synonyms: | 1-Octadecanol,acrylate (5CI);Acrylic acid, octadecyl ester (6CI,7CI,8CI);Blemmer SA;Exceparl S;Light Acrylate S-A;SR 257;Stearyl acrylate;n-Octadecyl acrylate; |
| EINECS: | 225-383-3 |
| Density: | 0.868 g/cm3 |
| Melting Point: | 32-34 °C(lit.) |
| Boiling Point: | 400.2 °C at 760 mmHg |
| Flash Point: | 153.1 °C |
| Solubility: | 260.9ng/L at 25℃ |
| Appearance: | white waxy solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 41 |
| Safety: | 26-39 |
| PSA: | 26.30000 |
| LogP: | 6.97710 |
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| Conditions | Yield |
|---|---|
| With 10H-phenothiazine; hydroquinone at 110 - 130℃; for 4.5h; Temperature; | 95.7% |
| With 10H-phenothiazine at 254℃; under 20252 Torr; for 0.0119444h; Microwave Irradiation; Autoclave; Industry scale; | 93% |
| With hydroquinone In cyclohexane at 60 - 140℃; for 6h; |
| Conditions | Yield |
|---|---|
| With dmap In dichloromethane Reflux; | 95% |
| Conditions | Yield |
|---|---|
| With acid |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tetracarbonyl nickel; benzene |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tetracarbonyl nickel; acetone |
| Conditions | Yield |
|---|---|
| In 1,4-dioxane; water at 50℃; for 5h; | 98% |
| Conditions | Yield |
|---|---|
| With palladium(II) trifluoroacetate; N,N'-bis(2,6-dimethylphenyl)butane-2,3-diimine; toluene-4-sulfonic acid; p-benzoquinone In tetrahydrofuran at 20℃; under 3000.3 Torr; for 67h; Autoclave; | 92% |
| Conditions | Yield |
|---|---|
| In ethanol at 75℃; for 15h; Michael Addition; | 89.7% |
| Conditions | Yield |
|---|---|
| at 25 - 40℃; for 72h; | 87% |
| Conditions | Yield |
|---|---|
| With dipotassium peroxodisulfate; palladium diacetate In trifluoroacetic acid; trifluoroacetic anhydride at 90℃; for 3h; regioselective reaction; | 75% |
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Specification
The Stearyl methacrylate is an organic compound with the formula C21H40O2. The IUPAC name of this chemical is octadecyl prop-2-enoate. With the CAS registry number 4813-57-4 and EINECS 225-383-3, it is also named as 2-Propenoic acid, octadecyl ester. The product's category is Functional Monomer. What's more, this chemical is used as reactive diluent and cross-linking agent in the radiation curable system. It also can be used as resin cross-linking agent and modifier of plastic and rubber. Besides, it should be sealed in the container, kept away from light and stored in the cool and dry place.
The other characteristics of Stearyl methacrylate can be summarized as: (1)ACD/LogP: 9.83; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.83; (4)ACD/LogD (pH 7.4): 9.83; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5278370; (8)ACD/KOC (pH 7.4): 5278370; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 100.83 cm3; (15)Molar Volume: 373.7 cm3; (16)Polarizability: 39.97×10-24 cm3; (17)Surface Tension: 30.9 dyne/cm; (18)Density: 0.868 g/cm3; (19)Flash Point: 153.1 °C; (20)Enthalpy of Vaporization: 65.11 kJ/mol; (21)Boiling Point: 400.2 °C at 760 mmHg; (22)Vapour Pressure: 1.29E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It has risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear eye / face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCCCCCCCCCCCCCCCCCC)\C=C
2. InChI:InChI=1/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h4H,2-3,5-20H2,1H3
3. InChIKey:FSAJWMJJORKPKS-UHFFFAOYAT
4. Std. InChI:InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h4H,2-3,5-20H2,1H3
5. Std. InChIKey:FSAJWMJJORKPKS-UHFFFAOYSA-N