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| CAS No.: | 1132-05-4 |
|---|---|
| Name: | 3'-ALLYL-4'-HYDROXYACETOPHENONE |
| Molecular Structure: | |
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| Formula: | C11H12O2 |
| Molecular Weight: | 176.215 |
| Synonyms: | BUTTPARK 94\04-78;3-ALLYL-4-HYDROXYACETOPHENONE;3-ALLYL-4-HYDROXYACETOPHENONE;4-ACETYL-2-ALLYLPHENOL;1-(3-ALLYL-4-HYDROXYPHENYL)ETHAN-1-ONE;1-(3-ALLYL-4-HYDROXYPHENYL)ETHANONE;3-Allyl-4-hydroxy-acetophenon;Ethanone, 1-(4-hydroxy-3-(2-propenyl)phenyl)- |
| Density: | 1.075 g/cm3 |
| Melting Point: | 115-119 °C (lit.) |
| Boiling Point: | 325.4 °C at 760 mmHg |
| Flash Point: | 138.2 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 41 |
| Safety: | 26-39 |
| PSA: | 37.30000 |
| LogP: | 2.32330 |
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Specification
The Ethanone, 1-[4-hydroxy-3-(2-propen-1-yl)phenyl]-, with the CAS registry number of 1132-05-4, is also known as 3'-Allyl-4'-hydroxyacetophenone. This chemical's molecular formula is C11H12O2 and molecular weight is 176.21. What's more, its IUPAC name is 1-(4-Hydroxy-3-prop-2-enylphenyl)ethanone. In addition, it must be stored in a dry, ventilated place at room temperature. Meanwhile, it should be avoided contact with light.
Physical properties about Ethanone, 1-[4-hydroxy-3-(2-propen-1-yl)phenyl]- are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.548; (8)Molar Refractivity: 52.06 cm3; (9)Molar Volume: 163.8 cm3; (10)Surface Tension: 40.3 dyne/cm; (11)Density: 1.075 g/cm3; (12)Flash Point: 138.2 °C; (13)Enthalpy of Vaporization: 59.01 kJ/mol; (14)Boiling Point: 325.4 °C at 760 mmHg; (15)Vapour Pressure: 0.000121 mmHg at 25 °C.
Preparation: this chemical is prepared by 1-(4-Allyloxy-phenyl)-ethanone. The reaction time is 1.5 hours with reaction temperature of 200-230 °C. The yield is about 96 %.
![The Ethanone, 1-[4-hydroxy-3-(2-propen-1-yl)phenyl]- can be obtained by 1-(4-Allyloxy-phenyl)-ethanone.](/UserFilesUpload/The Ethanone, 1-[4-hydroxy-3-(2-propen-1-yl)phenyl]- can be obtained by 1-(4-Allyloxy-phenyl)-ethanone_.jpg)
Uses of Ethanone, 1-[4-hydroxy-3-(2-propen-1-yl)phenyl]-: it is used to produce other chemicals. For example, it is used to produce 1-(4-Hydroxy-3-propyl-phenyl)-ethanone at ambient temperature. This reaction needs reagent H2, catalyst Raney Ni and solvent Ethyl acetate. The reaction time is 4.5 hours. The yield is about 80 %.
![Ethanone, 1-[4-hydroxy-3-(2-propen-1-yl)phenyl]- can be used to produce 1-(4-Hydroxy-3-propyl-phenyl)-ethanone.](/UserFilesUpload/Ethanone, 1-[4-hydroxy-3-(2-propen-1-yl)phenyl]- can be used to produce 1-(4-Hydroxy-3-propyl-phenyl)-ethanone_.bmp)
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. In addition, it has risk of serious damage to eyes.During using it, wear eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(O)c(c1)C/C=C)C
(2) InChI: InChI=1/C11H12O2/c1-3-4-10-7-9(8(2)12)5-6-11(10)13/h3,5-7,13H,1,4H2,2H3
(3) InChIKey: XVTCWUFLNLZPEJ-UHFFFAOYAJ