Products Categories
CAS No.: | 4223-84-1 |
---|---|
Name: | 1-(2-HYDROXY-5-METHOXY-4-METHYL-PHENYL)-ETHANONE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C10H12O3 |
Molecular Weight: | 180.203 |
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; |
Density: | 1.128 g/cm3 |
Melting Point: | 114°C |
Boiling Point: | 290.1 °C at 760 mmHg |
Flash Point: | 112.1 °C |
PSA: | 46.53000 |
LogP: | 1.91180 |
What can I do for you?
Get Best Price
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