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CAS No.: | 36436-65-4 |
---|---|
Name: | 2'-HYDROXY-4',5'-DIMETHYLACETOPHENONE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C10H12O2 |
Molecular Weight: | 164.204 |
Synonyms: | Acetophenone,2'-hydroxy-4',5'-dimethyl- (6CI,7CI);2-Acetyl-4,5-dimethylphenol;2'-Hydroxy-4',5'-dimethylacetophenone;4',5'-Dimethyl-2'-hydroxyacetophenone; |
EINECS: | 253-035-0 |
Density: | 1.08 g/cm3 |
Melting Point: | 69-73 °C |
Boiling Point: | 274.3 °C at 760 mmHg |
Flash Point: | 114.6 °C |
Solubility: | Slightly soluble in water. |
Appearance: | white to light yellow crystalline powder |
Hazard Symbols: | Xn |
Risk Codes: | 36/37/38-22 |
Safety: | 36/37/39-26 |
PSA: | 37.30000 |
LogP: | 2.21160 |
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The Ethanone,1-(2-hydroxy-4,5-dimethylphenyl)-, with the CAS registry number 36436-65-4, is also known as 2-Acetyl-4,5-dimethylphenol. It belongs to the product category of Aromatic Acetophenones & Derivatives (Substituted). Its EINECS registry number is 253-035-0. This chemical's molecular formula is C10H12O2 and molecular weight is 164.2. What's more, its IUPAC name and systematic name are the same which is called 1-(2-Hydroxy-4,5-dimethylphenyl)ethanone. Additionally, it should be preserved hermetically and put in a cool, dry place.
Physical properties about Ethanone,1-(2-hydroxy-4,5-dimethylphenyl)-: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 91.66; (6)ACD/BCF (pH 7.4): 91.61; (7)ACD/KOC (pH 5.5): 883.39; (8)ACD/KOC (pH 7.4): 882.83; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 47.81 cm3; (15)Molar Volume: 151.9 cm3; (16)Surface Tension: 40.2 dyne/cm; (17)Density: 1.08 g/cm3; (18)Flash Point: 114.6 °C; (19)Enthalpy of Vaporization: 53.34 kJ/mol; (20)Boiling Point: 274.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00324 mmHg at 25 °C; (22)Melting point: 69-73 °C.
Preparation of Ethanone,1-(2-hydroxy-4,5-dimethylphenyl)-: it can be obtained by 1-Acetyl-2-difluoroboryloxy-4,5-dimethylbenzne. The reaction occurs with reagent H2O and solvent ethanol heating for 15 minutes. The yield is 100%.
Uses of Ethanone,1-(2-hydroxy-4,5-dimethylphenyl)-: it is used to produce other chemicals. For example, it can react with acetic acid to get 4,6,7-trimethyl-3,8-dinitro-chromen-2-one. The reaction occurs with reagent nitric acid at temperature of 100°C for 30 minutes. The yield is 37%.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. If swallowed, it’s harmful to health. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should 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(c(cc1O)C)C)C
(2) InChI: InChI=1/C10H12O2/c1-6-4-9(8(3)11)10(12)5-7(6)2/h4-5,12H,1-3H3
(3) InChIKey: YXVSURZEXVMUAM-UHFFFAOYAF