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CAS No.: | 3530-36-7 |
---|---|
Name: | 2-PHENYLETHYL ACRYLATE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C11H12O2 |
Molecular Weight: | 176.215 |
Synonyms: | Acrylicacid, phenethyl ester (7CI,8CI);Phenethyl alcohol, acrylate (5CI);2-Phenylethyl acrylate;Phenethyl acrylate;2-Phenylethyl prop-2-enoate;Acrylic acid, 2-phenylethyl ester;Acrylic acid phenethyl ester; |
EINECS: | 222-562-8 |
Density: | 1.034 g/cm3 |
Melting Point: | 104~106℃/5mm |
Boiling Point: | 271.1 °C at 760 mmHg |
Flash Point: | 150.5 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 26.30000 |
LogP: | 1.95830 |
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The 2-Propenoic acid,2-phenylethyl ester, with the CAS registry number 3530-36-7, is also known as 2-Phenylethyl acrylate. Its EINECS number is 222-562-8. It belongs to the product category of Monomer. This chemical's molecular formula is C11H12O2 and molecular weight is 176.21. What's more, its systematic name is 2-Phenylethyl prop-2-enoate.
Physical properties of 2-Propenoic acid,2-phenylethyl ester are: (1)ACD/LogP: ; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 2.99; (5)ACD/BCF (pH 5.5): 109.43; (6)ACD/BCF (pH 7.4): 109.43; (7)ACD/KOC (pH 5.5): 1002.84; (8)ACD/KOC (pH 7.4): 1002.84; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 51.2 cm3; (15)Molar Volume: 170.3 cm3; (16)Polarizability: 20.29×10-24 cm3; (17)Surface Tension: 35.8 dyne/cm; (18)Density: 1.034 g/cm3; (19)Flash Point: 150.5 °C; (20)Enthalpy of Vaporization: 50.93 kJ/mol; (21)Boiling Point: 271.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00658 mmHg at 25°C.
Preparation: this chemical can be prepared by allyl-phenethyl ether at the temperature of 25 °C. This reaction will need reagents 1-(tert-butylperoxy)-1,2-benziodoxol-3(1H)-one, Cs2CO3 and solvent cyclohexane with the reaction time of 42 hours. The yield is about 60%.
Uses of 2-Propenoic acid,2-phenylethyl ester: it can be used to produce 2-(hydroxy-phenyl-methyl)-acrylic acid phenethyl ester at the ambient temperature. It will need reagent 1,4-diazabicyclo<2.2.2>octane (DABCO) with the reaction time of 4 days. The yield is about 84%.
When you are using this chemical, please be cautious about it as the following:
It 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(OCCc1ccccc1)\C=C
(2)InChI: InChI=1S/C11H12O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h2-7H,1,8-9H2
(3)InChIKey: HPSGLFKWHYAKSF-UHFFFAOYSA-N