Stearyl acrylate (SA) CAS 4813-57-4; ChemWhat Code: 1411482
Identification
| Product Name | Stearyl acrylate |
| IUPAC Name | octadecyl prop-2-enoate |
| Molecular Structure |  |
| CAS Registry Number | 4813-57-4 |
| EINECS Number | 225-383-3 |
| MDL Number | MFCD00015091 |
| Synonyms | Octadecyl acrylate 4813-57-4 Stearyl acrylate octadecyl prop-2-enoate 2-Propenoic acid, octadecyl ester n-Octadecyl acrylate Acrylic acid stearyl ester L37WJG7RTH octadecylacrylate Octadecyl 2-propenoate N-Octadecyl acrylate(11.5 cp(38 degrees c)) n-octadecylacrylate EINECS 225-383-3 Acrylic acid octadecyl VISCOAT STA BLEMMER SA EXCEPARL S AI3-15687 UNII-L37WJG7RTH LIGHT ACRYLATE S-A EC 225-383-3 Acrylic Acid Octadecyl Ester SCHEMBL14967 Acrylic acid, octadecyl ester Octadecyl acrylate,high purity 1-OCTADECANOL, ACRYLATE DTXSID9063613 MFCD00015091 Octadecyl acrylate (Stearyl acrylate) AKOS015915480 Stearyl Acrylate (stabilized with MEHQ) BS-42313 Stearyl Acrylate, (stabilized with MEHQ) A1011 CS-0167362 FT-0651874 D78461 A827477 Octadecyl acrylate, contains 200 ppm monomethyl ether hydroquinone as inhibitor, 97% |
| Molecular Formula | C21H40O2 |
| Molecular Weight | 324.5 |
| 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 |
| InChI Key | FSAJWMJJORKPKS-UHFFFAOYSA-N |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN111116631 | Organic silicon inhibitor for drilling fluid, and preparation method thereof | 2020 |
| US6492539 | Preparation of preparing substituted indanones | 2002 |
Physical Data
| Appearance | White waxy solid under room temperature；Colorless to light yellowish liquid under high temperature |
| Melting Point, °C | Solvent (Melting Point) |
| 31 – 32 | |
| 31 – 32.1 | acetone |
| Description (Association (MCS)) | Solvent (Association (MCS)) | Temperature (Association (MCS)), °C | Partner (Association (MCS)) |
| Association with compound | H2O | 25 | octanol |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Spectrum | 1H | ||
| Chemical shifts, Spectrum | 1H | ||
| Chemical shifts, Spectrum | 13C | ||
| Chemical shifts | 1H | CD3OD | |
| Chemical shifts | 1H | chloroform-d1 | 300 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Temperature (IR Spectroscopy), °C |
| Spectrum | ||
| Bands, Spectrum | potassium bromide | 14.85 – 54.85 |
| Bands, Spectrum | ||
| Bands, Spectrum |
Route of Synthesis (ROS)
Route of Synthesis (ROS) of Stearyl acrylate (SA) CAS 4813-57-4
| 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 | |
Experimental Procedure 100 g of octadecanol, 0.8 g of hydroquinone, and 5 g of in situ acid resin were added to the round bottom flask.Stir and heat to 60 ° C, all of which is dissolved in hydroquinone.Add 40 mL of cyclohexane, add 32.89 g of acrylic acid, and warm to 120 ° C.The reaction was carried out for two hours, and then the temperature was raised to 140 ° C for four hours.The reaction is over. The resin was removed by filtration, and the filtrate was analyzed by high performance liquid chromatography.Its conversion rate is 90%. The filtrate is washed with water and neutralized with sodium carbonate solution.Washed to neutrality, and then dried to obtain octadecyl acrylate.The infrared spectrum of the product is shown in Figure 4 as the 4 spectrum.The nuclear magnetic resonance spectrum of the product is shown in Figure 8.The nuclear magnetic resonance carbon spectrum of the product is shown in Fig. 9. |
Safety and Hazards
| Pictogram(s) |   |
| Signal | Warning |
| GHS Hazard Statements | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (53.66%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (99.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H411 (99.39%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
| Precautionary Statement Codes | P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P313, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | stored in a cool, dry place, away from direct sunlight. The containers should be kept sealed and if opened, should be resealed tightly. As this product tends to crystallize / become wax like, it might be necessary to preheat the product before using. Avoid direct exposure to the eyes and skin. |
| HS Code | |
| Storage | stored in a cool, dry place, away from direct sunlight. The containers should be kept sealed and if opened, should be resealed tightly. As this product tends to crystallize / become wax like, it might be necessary to preheat the product before using. Avoid direct exposure to the eyes and skin. |
| Shelf Life | 2 years |
| Market Price |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 324.547 |
| logP | 9.849 |
| HBA | 2 |
| HBD | 0 |
| Matching Lipinski Rules | 3 |
| Veber rules component | |
| Polar Surface Area (PSA) | 26.3 |
| Rotatable Bond (RotB) | 19 |
| Matching Veber Rules | 1 |
| Use Pattern |
| Stearyl acrylate (SA) CAS 4813-57-4 is a versatile chemical that finds wide applications in various industries. One of its primary uses is in the manufacture of adhesives and coatings. Octadecyl acrylate serves as a binder in the formulation of pressure-sensitive adhesives and is also used as a reactive diluent in the production of radiation-curable coatings. In addition, it can act as a co-monomer in the synthesis of various polymers, including block copolymers, graft copolymers, and crosslinked polymers. |
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| Warshel Chemical Ltd | http://www.warshel.com/ |
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