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| CAS No.: | 90-24-4 |
|---|---|
| Name: | 2'-HYDROXY-4',6'-DIMETHOXYACETOPHENONE |
| Article Data: | 164 |
| Molecular Structure: | |
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| Formula: | C10H12O4 |
| Molecular Weight: | 196.203 |
| Synonyms: | Acetophenone,2'-hydroxy-4',6'-dimethoxy- (6CI,7CI,8CI);1-(2-Hydroxy-4,6-dimethoxyphenyl)ethanone;1-Acetyl-2-hydroxy-4,6-dimethoxybenzene;2,4-Di-O-methylphloroacetophenone;2-Acetyl-3,5-dimethoxyphenol;2'-Hydroxy-4',6'-dimethoxyacetophenone;Brevifolin;Brevifolin (Zanthoxylum);NSC 17392;Phloroacetophenone 2,4-dimethyl ether;Phloroacetophenone dimethylether;Xanthoxylin; |
| EINECS: | 201-978-3 |
| Density: | 1.172g/cm3 |
| Melting Point: | 80-84 °C(lit.) |
| Boiling Point: | 355.1 °C at 760 mmHg |
| Flash Point: | 141.2 °C |
| Solubility: | Soluble in hot Methanol |
| Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 55.76000 |
| LogP: | 1.61200 |
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Specification
The Ethanone,1-(2-hydroxy-4,6-dimethoxyphenyl)-, with CAS registry number 90-24-4, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)C10; (3)Carbonyl Compounds; (4)Ketones. It has the systematic name of 1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone. And the chemical formula of this chemical is C10H12O4.
Physical properties of Ethanone,1-(2-hydroxy-4,6-dimethoxyphenyl)-: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 37.32; (6)ACD/BCF (pH 7.4): 36.96; (7)ACD/KOC (pH 5.5): 464.3; (8)ACD/KOC (pH 7.4): 459.85; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 51.51 cm3; (15)Molar Volume: 167.3 cm3; (16)Polarizability: 20.42×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Enthalpy of Vaporization: 62.38 kJ/mol; (19)Vapour Pressure: 1.57E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-(2,4,6-trimethoxy-phenyl)-ethanone. This reaction will need reagents BuLi, 1-methylπperazine and solvents toluene, hexane. The reaction time is 10.5 hour(s) with reaction temperature of 20 - 80 ℃. The yield is about 71%.
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Uses of Ethanone,1-(2-hydroxy-4,6-dimethoxyphenyl)-: it can be used to produce 2-ethyl-3,5-dimethoxy-phenol. This reaction will need reagent (C2H5)3SiH and solvent trifluoroacetic acid. The reaction temperature is 20 ℃.
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When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(2-hydroxy-4,6-dimethoxyphenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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(c1c(O)cc(OC)cc1OC)C
(2)InChI: InChI=1/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3
(3)InChIKey: FBUBVLUPUDBFME-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3
(5)Std. InChIKey: FBUBVLUPUDBFME-UHFFFAOYSA-N