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| CAS No.: | 13402-02-3 |
|---|---|
| Name: | Hexadecyl acrylate |
| Molecular Structure: | |
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| Formula: | C19H36O2 |
| Molecular Weight: | 296.494 |
| Synonyms: | Acrylic acid,hexadecyl ester (6CI,7CI,8CI);1-Hexadecanol, acrylate (8CI);Cetyl acrylate;2-Propenoic acid,hexadecyl ester;NSC 72788;Palmityl acrylate;Photomer 4816;n-Hexadecyl acrylate; |
| EINECS: | 236-492-0 |
| Density: | 0.87 g/cm3 |
| Melting Point: | 24 °C |
| Boiling Point: | 370.532 °C at 760 mmHg |
| Flash Point: | 139.643 °C |
| Solubility: | 1.194μg/L at 25℃ |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 26.30000 |
| LogP: | 6.19690 |
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Specification
Hexadecyl acrylate is an organic compound with the formula C19H36O2, and its systematic name is the same with the product name. With the CAS registry number 13402-02-3, it is also named as 2-Propenoic acid,hexadecyl ester. It belongs to the product category of Monomer. Its EINECS number is 236-492-0. In addition, the molecular weight is 296.49.
Physical properties of Hexadecyl acrylate are: (1)ACD/LogP: 8.431 # of Rule of 5 Violations: 1; (2)ACD/LogD (pH 5.5): 8.43; (3)ACD/LogD (pH 7.4): 8.43; (4)ACD/BCF (pH 5.5): 1000000.00; (5)ACD/BCF (pH 7.4): 1000000.00; (6)ACD/KOC (pH 5.5): 918766.90; (7)ACD/KOC (pH 7.4): 918766.90; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 17; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.45; (13)Molar Refractivity: 91.574 cm3; (14)Molar Volume: 340.739 cm3; (15)Polarizability: 36.303×10-24cm3; (16)Surface Tension: 30.66 dyne/cm; (17)Density: 0.87 g/cm3; (18)Flash Point: 139.643 °C; (19)Enthalpy of Vaporization: 61.744 kJ/mol; (20)Boiling Point: 370.532 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
Preparation of Hexadecyl acrylate: this chemical can be prepared by acryloyl chloride and hexadecan-1-ol at the temperature of 80 °C. This reaction will need solvent benzene with the reaction time of 2 hours. The yield is about 80%.
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Uses of Hexadecyl acrylate: it can be used to produce 3-(4-amino-butylamino)-propionic acid hexadecyl ester. This reaction will need solvent tetrahydrofuran. The yield is about 50%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCCCCCC)\C=C
(2)Std. InChI: InChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2/h4H,2-3,5-18H2,1H3
(3)Std. InChIKey: PZDUWXKXFAIFOR-UHFFFAOYSA-N