Ethanone,1-(4-hydroxy-3,5-dimethoxyphenyl)- (2478-38-8)

The Ethanone,1-(4-hydroxy-3,5-dimethoxyphenyl)-, with CAS registry number 2478-38-8, belongs to the following product category: Aromatic Acetophenones & Derivatives (substituted). Its systematic name and its IUPAC name are the same, which is 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone. And this chemical is a kind of beige to light brown crystalline powder.

Physical properties of Ethanone,1-(4-hydroxy-3,5-dimethoxyphenyl)-: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 5.09; (6)ACD/BCF (pH 7.4): 4.4; (7)ACD/KOC (pH 5.5): 111.55; (8)ACD/KOC (pH 7.4): 96.3; (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: 60.05 kJ/mol; (19)Vapour Pressure: 6.49E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(3,4,5-trimethoxy-phenyl)-ethanone. This reaction will need reagent AlCl_3. The yield is about 60%.

Uses of Ethanone,1-(4-hydroxy-3,5-dimethoxyphenyl)-: it can be used to produce 3',5'-dimethoxy-4'-isopropoxyacetophenone. This reaction will need reagent K₂CO₃ and solvent dimethylformamide. The reaction time is 4.5 hour(s). The yield is about 65.9%.

When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(4-hydroxy-3,5-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(c1cc(OC)c(O)c(OC)c1)C
(2)InChI: InChI=1/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3
(3)InChIKey: OJOBTAOGJIWAGB-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3
(5)Std. InChIKey: OJOBTAOGJIWAGB-UHFFFAOYSA-N

The toxicity data is as follows: