Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethanone,1-(2-hydroxy-5-methoxy-4-methylphenyl)- |
EINECS | N/A |
CAS No. | 4223-84-1 | Density | 1.128 g/cm3 |
PSA | 46.53000 | LogP | 1.91180 |
Solubility | N/A | Melting Point |
114°C |
Formula | C10H12O3 | Boiling Point | 290.1 °C at 760 mmHg |
Molecular Weight | 180.203 | Flash Point | 112.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acetophenone,2'-hydroxy-5'-methoxy-4'-methyl- (6CI,7CI,8CI);1-Acetyl-2-hydroxy-5-methoxy-4-methylbenzene;2-Hydroxy-5-methoxy-4-methylacetophenone; |
Article Data | 5 |
The Ethanone, 1-(2-hydroxy-5-methoxy-4-methylphenyl)-, with the CAS registry number of 4223-84-1, is also known as 2-Hydroxy-5-methoxy-4-methylacetophenone. This chemical's molecular formula is C10H12O3 and molecular weight is 180.2. What's more, its IUPAC name is 1-(2-Hydroxy-5-methoxy-4-methylphenyl)ethanone.
Physical properties about Ethanone, 1-(2-hydroxy-5-methoxy-4-methylphenyl)- are: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 47.75; (6)ACD/BCF (pH 7.4): 47.73; (7)ACD/KOC (pH 5.5): 553.86; (8)ACD/KOC (pH 7.4): 553.63; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 49.66 cm3; (15)Molar Volume: 159.6 cm3; (16)Surface Tension: 40 dyne/cm; (17)Density: 1.128 g/cm3; (18)Flash Point: 112.1 °C; (19)Enthalpy of Vaporization: 55.06 kJ/mol; (20)Boiling Point: 290.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00122 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(OC)c(cc1O)C)C
(2) InChI: InChI=1/C10H12O3/c1-6-4-9(12)8(7(2)11)5-10(6)13-3/h4-5,12H,1-3H3
(3) InChIKey: PTTRXYJJGTZMSZ-UHFFFAOYAT