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Name |
Ethanone, 1-[4-(acetyloxy)-2-hydroxyphenyl]- |
EINECS | N/A |
CAS No. | 42059-48-3 | Density | 1.236 g/cm3 |
PSA | 63.60000 | LogP | 1.52010 |
Solubility | N/A | Melting Point |
73.5-74.5 °C |
Formula | C10H10O4 | Boiling Point | 331.2 °C at 760 mmHg |
Molecular Weight | 194.187 | Flash Point | 131.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | R36/37/38:Irritating to eyes, respiratory system and skin.; | |
Synonyms |
Acetophenone, 2',4'-dihydroxy-, 4'-acetate (6CI,7CI);2'-Hydroxy-4'-acetoxyacetophenone;4'-Acetoxy-2'-hydroxyacetophenone; |
Article Data | 17 |
The Ethanone, 1-[4-(acetyloxy)-2-hydroxyphenyl]-, with the CAS registry number of 42059-48-3, is also known as 4'-Acetoxy-2'-hydroxyacetophenone. This chemical's molecular formula is C10H10O4 and molecular weight is 194.18. What's more, its systematic name is called 4-Acetyl-3-hydroxyphenyl acetate.
Physical properties about Ethanone, 1-[4-(acetyloxy)-2-hydroxyphenyl]- are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19.51; (6)ACD/BCF (pH 7.4): 19.32; (7)ACD/KOC (pH 5.5): 291.87; (8)ACD/KOC (pH 7.4): 289.01; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 49.5 cm3; (15)Molar Volume: 157 cm3; (16)Surface Tension: 46 dyne/cm; (17)Density: 1.236 g/cm3; (18)Flash Point: 131.4 °C; (19)Enthalpy of Vaporization: 59.66 kJ/mol; (20)Boiling Point: 331.2 °C at 760 mmHg; (21)Vapour Pressure: 8.2E-05 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of Acetic acid anhydride with 1-(2, 4-Dihydroxy-phenyl)-ethanone. This reaction needs reagents Pyridine and Al2O3. The reaction time is 1 hour with reaction temperature of 95-97 °C. The yield is about 65 %.
Uses of Ethanone, 1-[4-(acetyloxy)-2-hydroxyphenyl]-: it is used to produce other chemicals. For example, it is used to produce 7-Acetoxy-4-oxo-4H-chromene-3-carbaldehyde by heating. The reaction time is 6 hours. The yield is about 49 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and 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(OC(=O)C)cc1O)C
(2) InChI: InChI=1/C10H10O4/c1-6(11)9-4-3-8(5-10(9)13)14-7(2)12/h3-5,13H,1-2H3
(3) InChIKey: XBBMROOTCQXGMR-UHFFFAOYAG